N-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)-4-methyl-1,3-thiazol-2-amine

C14H13Cl2N7S — CID 87510260

IUPACN-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2nc3nc(Cl)nc(N4CCCC4)c3nc2Cl)n1
InChIInChI=1S/C14H13Cl2N7S/c1-7-6-24-14(17-7)21-11-9(15)18-8-10(19-11)20-13(16)22-12(8)23-4-2-3-5-23/h6H,2-5H2,1H3,(H,17,19,20,21,22)
InChIKeyPHQQZUCIOALJRR-UHFFFAOYSA-N
MW382.28 g/mol
LogP3.84
Rot. Bonds3

About N-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)-4-methyl-1,3-thiazol-2-amine

N-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 87510260) has the molecular formula C14H13Cl2N7S and a molecular weight of 382.28 g/mol. Its IUPAC name is N-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)-4-methyl-1,3-thiazol-2-amine
PubChem CID87510260
Molecular FormulaC14H13Cl2N7S
Molecular Weight382.28 g/mol
Exact Mass381.03
IUPAC NameN-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2nc3nc(Cl)nc(N4CCCC4)c3nc2Cl)n1
InChIInChI=1S/C14H13Cl2N7S/c1-7-6-24-14(17-7)21-11-9(15)18-8-10(19-11)20-13(16)22-12(8)23-4-2-3-5-23/h6H,2-5H2,1H3,(H,17,19,20,21,22)
InChIKeyPHQQZUCIOALJRR-UHFFFAOYSA-N
XLogP3.84
TPSA79.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)-4-methyl-1,3-thiazol-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-(azetidin-1-yl)-2,6-dichloro-N-cyclobutylpteridin-7-amine
CID 87510013
4-(2,6-dichloro-4-thiomorpholin-4-ylpteridin-7-yl)thiomorpholine
CID 13371661
2,6-dichloro-7-(1-cyclopropylethoxy)-4-pyrrolidin-1-ylpteridine
CID 90282299
4-methyl-N-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)-1,3-thiazol-2-amine
CID 13241965
4-(2,6,7-trichloropteridin-4-yl)-1,4-thiazinane 1-oxide
CID 13371658
N-(3-chloro-4-methylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 23910144
5-(2-chlorophenyl)sulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-ol
CID 24764519
N-[3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine
CID 95823698
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-5-sulfonamide
CID 43456367
4-methyl-N-[6-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 110093864
2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol
CID 95823667
(3R)-1-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]piperidine-3-carboxamide
CID 94506074

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)-4-methyl-1,3-thiazol-2-amine (CID 87510260) is N-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)-4-methyl-1,3-thiazol-2-amine is Cc1csc(Nc2nc3nc(Cl)nc(N4CCCC4)c3nc2Cl)n1.
What is the InChIKey of N-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is PHQQZUCIOALJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N7S/c1-7-6-24-14(17-7)21-11-9(15)18-8-10(19-11)20-13(16)22-12(8)23-4-2-3-5-23/h6H,2-5H2,1H3,(H,17,19,20,21,22).
What are the key properties of N-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)-4-methyl-1,3-thiazol-2-amine?
N-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 382.28 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 87510260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).