5-[[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine

C18H27N5OS — CID 164632578

IUPAC5-[[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESCCCc1nc(C)c(CNCc2cnc(NC[C@H]3CCCO3)nc2)s1
InChIInChI=1S/C18H27N5OS/c1-3-5-17-23-13(2)16(25-17)12-19-8-14-9-20-18(21-10-14)22-11-15-6-4-7-24-15/h9-10,15,19H,3-8,11-12H2,1-2H3,(H,20,21,22)/t15-/m1/s1
InChIKeyJHIBDNZMAJLRPA-OAHLLOKOSA-N
MW361.52 g/mol
LogP3.07
Rot. Bonds9

About 5-[[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine

5-[[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine (PubChem CID 164632578) has the molecular formula C18H27N5OS and a molecular weight of 361.52 g/mol. Its IUPAC name is 5-[[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
PubChem CID164632578
Molecular FormulaC18H27N5OS
Molecular Weight361.52 g/mol
Exact Mass361.19
IUPAC Name5-[[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESCCCc1nc(C)c(CNCc2cnc(NC[C@H]3CCCO3)nc2)s1
InChIInChI=1S/C18H27N5OS/c1-3-5-17-23-13(2)16(25-17)12-19-8-14-9-20-18(21-10-14)22-11-15-6-4-7-24-15/h9-10,15,19H,3-8,11-12H2,1-2H3,(H,20,21,22)/t15-/m1/s1
InChIKeyJHIBDNZMAJLRPA-OAHLLOKOSA-N
XLogP3.07
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-[[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine (CID 164632578) is 5-[[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine is CCCc1nc(C)c(CNCc2cnc(NC[C@H]3CCCO3)nc2)s1.
What is the InChIKey of 5-[[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is JHIBDNZMAJLRPA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N5OS/c1-3-5-17-23-13(2)16(25-17)12-19-8-14-9-20-18(21-10-14)22-11-15-6-4-7-24-15/h9-10,15,19H,3-8,11-12H2,1-2H3,(H,20,21,22)/t15-/m1/s1.
What are the key properties of 5-[[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
5-[[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 361.52 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 164632578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).