6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine

C18H20N6O2S — CID 71272126

IUPAC6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCOc1ccc([C@H]2C[C@@H]2COc2cc(NCc3nnc(C)s3)ncn2)nc1
InChIInChI=1S/C18H20N6O2S/c1-11-23-24-18(27-11)8-20-16-6-17(22-10-21-16)26-9-12-5-14(12)15-4-3-13(25-2)7-19-15/h3-4,6-7,10,12,14H,5,8-9H2,1-2H3,(H,20,21,22)/t12-,14+/m1/s1
InChIKeyLCXTTZGDWBFLMV-OCCSQVGLSA-N
MW384.47 g/mol
LogP2.83
Rot. Bonds8

About 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine

6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 71272126) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID71272126
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC Name6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCOc1ccc([C@H]2C[C@@H]2COc2cc(NCc3nnc(C)s3)ncn2)nc1
InChIInChI=1S/C18H20N6O2S/c1-11-23-24-18(27-11)8-20-16-6-17(22-10-21-16)26-9-12-5-14(12)15-4-3-13(25-2)7-19-15/h3-4,6-7,10,12,14H,5,8-9H2,1-2H3,(H,20,21,22)/t12-,14+/m1/s1
InChIKeyLCXTTZGDWBFLMV-OCCSQVGLSA-N
XLogP2.83
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine
CID 71271972
2-ethyl-6-[[(2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine
CID 144538418
4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine
CID 71272346
5-chloro-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one
CID 123675483
4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-(trifluoromethyl)pyrimidine;(5-methyl-1,3,4-thiadiazol-2-yl)methanamine
CID 71271475
2-(2-iminoethyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[(2-pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine
CID 123949880
6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyridazin-3-one
CID 90454529
5-[[(1S,2S)-2-(6-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56952493
2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-[(1R,2S)-2-(5-pyridin-2-yl-2-pyridinyl)cyclopropyl]ethoxy]pyrimidin-4-amine
CID 144538381
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56952794
2-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methyl-1,3,4-thiadiazole
CID 71086046
6-(cyclopropylmethoxy)-2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine
CID 144538324

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine (CID 71272126) is 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine is COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3nnc(C)s3)ncn2)nc1.
What is the InChIKey of 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is LCXTTZGDWBFLMV-OCCSQVGLSA-N. The full InChI is InChI=1S/C18H20N6O2S/c1-11-23-24-18(27-11)8-20-16-6-17(22-10-21-16)26-9-12-5-14(12)15-4-3-13(25-2)7-19-15/h3-4,6-7,10,12,14H,5,8-9H2,1-2H3,(H,20,21,22)/t12-,14+/m1/s1.
What are the key properties of 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine?
6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 384.47 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 71272126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).