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

C21H21N7OS — CID 71511759

IUPAC2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine
SMILESCc1nc(NCc2nnc(C)s2)cc(OC[C@H]2C[C@@H]2c2ccc3ncccc3n2)n1
InChIInChI=1S/C21H21N7OS/c1-12-24-19(23-10-21-28-27-13(2)30-21)9-20(25-12)29-11-14-8-15(14)16-5-6-17-18(26-16)4-3-7-22-17/h3-7,9,14-15H,8,10-11H2,1-2H3,(H,23,24,25)/t14-,15+/m1/s1
InChIKeyYWPPZQMTZSRPCK-CABCVRRESA-N
MW419.51 g/mol
LogP3.68
Rot. Bonds7

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

2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine (PubChem CID 71511759) has the molecular formula C21H21N7OS and a molecular weight of 419.51 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine
PubChem CID71511759
Molecular FormulaC21H21N7OS
Molecular Weight419.51 g/mol
Exact Mass419.15
IUPAC Name2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine
SMILESCc1nc(NCc2nnc(C)s2)cc(OC[C@H]2C[C@@H]2c2ccc3ncccc3n2)n1
InChIInChI=1S/C21H21N7OS/c1-12-24-19(23-10-21-28-27-13(2)30-21)9-20(25-12)29-11-14-8-15(14)16-5-6-17-18(26-16)4-3-7-22-17/h3-7,9,14-15H,8,10-11H2,1-2H3,(H,23,24,25)/t14-,15+/m1/s1
InChIKeyYWPPZQMTZSRPCK-CABCVRRESA-N
XLogP3.68
TPSA98.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine (CID 71511759) is 2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine is Cc1nc(NCc2nnc(C)s2)cc(OC[C@H]2C[C@@H]2c2ccc3ncccc3n2)n1.
What is the InChIKey of 2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine?
The InChIKey is YWPPZQMTZSRPCK-CABCVRRESA-N. The full InChI is InChI=1S/C21H21N7OS/c1-12-24-19(23-10-21-28-27-13(2)30-21)9-20(25-12)29-11-14-8-15(14)16-5-6-17-18(26-16)4-3-7-22-17/h3-7,9,14-15H,8,10-11H2,1-2H3,(H,23,24,25)/t14-,15+/m1/s1.
What are the key properties of 2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine?
2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine has a molecular weight of 419.51 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine is sourced from PubChem (CID 71511759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).