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

C20H19N7OS — CID 71271972

IUPACN-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine
SMILESCc1nnc(CNc2cc(OCC3CC3c3ccc4ncccc4n3)ncn2)s1
InChIInChI=1S/C20H19N7OS/c1-12-26-27-20(29-12)9-22-18-8-19(24-11-23-18)28-10-13-7-14(13)15-4-5-16-17(25-15)3-2-6-21-16/h2-6,8,11,13-14H,7,9-10H2,1H3,(H,22,23,24)
InChIKeyZBROLCRTCOCWHV-UHFFFAOYSA-N
MW405.49 g/mol
LogP3.37
Rot. Bonds7

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

N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine (PubChem CID 71271972) has the molecular formula C20H19N7OS and a molecular weight of 405.49 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine
PubChem CID71271972
Molecular FormulaC20H19N7OS
Molecular Weight405.49 g/mol
Exact Mass405.14
IUPAC NameN-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine
SMILESCc1nnc(CNc2cc(OCC3CC3c3ccc4ncccc4n3)ncn2)s1
InChIInChI=1S/C20H19N7OS/c1-12-26-27-20(29-12)9-22-18-8-19(24-11-23-18)28-10-13-7-14(13)15-4-5-16-17(25-15)3-2-6-21-16/h2-6,8,11,13-14H,7,9-10H2,1H3,(H,22,23,24)
InChIKeyZBROLCRTCOCWHV-UHFFFAOYSA-N
XLogP3.37
TPSA98.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine 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 N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine?
The IUPAC name of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine (CID 71271972) is N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine.
What is the SMILES notation for N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine?
The canonical SMILES for N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine is Cc1nnc(CNc2cc(OCC3CC3c3ccc4ncccc4n3)ncn2)s1.
What is the InChIKey of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine?
The InChIKey is ZBROLCRTCOCWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7OS/c1-12-26-27-20(29-12)9-22-18-8-19(24-11-23-18)28-10-13-7-14(13)15-4-5-16-17(25-15)3-2-6-21-16/h2-6,8,11,13-14H,7,9-10H2,1H3,(H,22,23,24).
What are the key properties of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine?
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine has a molecular weight of 405.49 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine is sourced from PubChem (CID 71271972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).