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

C18H20N6O2S — CID 71272346

IUPAC4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine
SMILESCOc1ccc(C2CC2COc2cc(Cc3nnc(C)s3)nc(N)n2)nc1
InChIInChI=1S/C18H20N6O2S/c1-10-23-24-17(27-10)7-12-6-16(22-18(19)21-12)26-9-11-5-14(11)15-4-3-13(25-2)8-20-15/h3-4,6,8,11,14H,5,7,9H2,1-2H3,(H2,19,21,22)
InChIKeyBNAQLUZYYPQJBV-UHFFFAOYSA-N
MW384.47 g/mol
LogP2.40
Rot. Bonds7

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

4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine (PubChem CID 71272346) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine
PubChem CID71272346
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC Name4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine
SMILESCOc1ccc(C2CC2COc2cc(Cc3nnc(C)s3)nc(N)n2)nc1
InChIInChI=1S/C18H20N6O2S/c1-10-23-24-17(27-10)7-12-6-16(22-18(19)21-12)26-9-11-5-14(11)15-4-3-13(25-2)8-20-15/h3-4,6,8,11,14H,5,7,9H2,1-2H3,(H2,19,21,22)
InChIKeyBNAQLUZYYPQJBV-UHFFFAOYSA-N
XLogP2.40
TPSA108.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine (CID 71272346) is 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine is COc1ccc(C2CC2COc2cc(Cc3nnc(C)s3)nc(N)n2)nc1.
What is the InChIKey of 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine?
The InChIKey is BNAQLUZYYPQJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S/c1-10-23-24-17(27-10)7-12-6-16(22-18(19)21-12)26-9-11-5-14(11)15-4-3-13(25-2)8-20-15/h3-4,6,8,11,14H,5,7,9H2,1-2H3,(H2,19,21,22).
What are the key properties of 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine?
4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine has a molecular weight of 384.47 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 71272346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).