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

C18H21N7O2S — CID 71274151

IUPAC6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccc([C@H]2C[C@@H]2COc2cc(NCc3nnc(C)s3)nc(N)n2)nc1
InChIInChI=1S/C18H21N7O2S/c1-10-24-25-17(28-10)8-21-15-6-16(23-18(19)22-15)27-9-11-5-13(11)14-4-3-12(26-2)7-20-14/h3-4,6-7,11,13H,5,8-9H2,1-2H3,(H3,19,21,22,23)/t11-,13+/m1/s1
InChIKeySFMQHDVIUMCXHD-YPMHNXCESA-N
MW399.48 g/mol
LogP2.42
Rot. Bonds8

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

6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 71274151) has the molecular formula C18H21N7O2S and a molecular weight of 399.48 g/mol. Its IUPAC name is 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine
PubChem CID71274151
Molecular FormulaC18H21N7O2S
Molecular Weight399.48 g/mol
Exact Mass399.15
IUPAC Name6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccc([C@H]2C[C@@H]2COc2cc(NCc3nnc(C)s3)nc(N)n2)nc1
InChIInChI=1S/C18H21N7O2S/c1-10-24-25-17(28-10)8-21-15-6-16(23-18(19)22-15)27-9-11-5-13(11)14-4-3-12(26-2)7-20-14/h3-4,6-7,11,13H,5,8-9H2,1-2H3,(H3,19,21,22,23)/t11-,13+/m1/s1
InChIKeySFMQHDVIUMCXHD-YPMHNXCESA-N
XLogP2.42
TPSA120.96 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine (CID 71274151) is 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine is COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3nnc(C)s3)nc(N)n2)nc1.
What is the InChIKey of 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is SFMQHDVIUMCXHD-YPMHNXCESA-N. The full InChI is InChI=1S/C18H21N7O2S/c1-10-24-25-17(28-10)8-21-15-6-16(23-18(19)22-15)27-9-11-5-13(11)14-4-3-12(26-2)7-20-14/h3-4,6-7,11,13H,5,8-9H2,1-2H3,(H3,19,21,22,23)/t11-,13+/m1/s1.
What are the key properties of 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine?
6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 399.48 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 71274151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).