2-tert-butyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine

C17H24N4OS — CID 133402443

IUPAC2-tert-butyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(NC(c2nccs2)C2CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C17H24N4OS/c1-17(2,3)16-19-12(10-22-4)9-13(21-16)20-14(11-5-6-11)15-18-7-8-23-15/h7-9,11,14H,5-6,10H2,1-4H3,(H,19,20,21)
InChIKeyKRHMQBXXRPMEDT-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.94
Rot. Bonds6

About 2-tert-butyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine

2-tert-butyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 133402443) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-tert-butyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID133402443
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name2-tert-butyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(NC(c2nccs2)C2CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C17H24N4OS/c1-17(2,3)16-19-12(10-22-4)9-13(21-16)20-14(11-5-6-11)15-18-7-8-23-15/h7-9,11,14H,5-6,10H2,1-4H3,(H,19,20,21)
InChIKeyKRHMQBXXRPMEDT-UHFFFAOYSA-N
XLogP3.94
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-tert-butyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-(methoxymethyl)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

Related Compounds

2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133402707
2-tert-butyl-6-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 133404924
2-tert-butyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133404847
2-tert-butyl-6-(methoxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine
CID 133400878
6-chloro-2-(methoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 113401003
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 115724090
2-tert-butyl-6-(methoxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 133402332
2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 133402202
2-tert-butyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133412619
2-tert-butyl-6-(methoxymethyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrimidin-4-amine
CID 133402718
2-tert-butyl-6-(methoxymethyl)-N-[(4-methoxy-3-methylphenyl)methyl]pyrimidin-4-amine
CID 133401023
2-tert-butyl-N-[(4-chloro-2-methoxyphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133401633

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine (CID 133402443) is 2-tert-butyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine is COCc1cc(NC(c2nccs2)C2CC2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is KRHMQBXXRPMEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-17(2,3)16-19-12(10-22-4)9-13(21-16)20-14(11-5-6-11)15-18-7-8-23-15/h7-9,11,14H,5-6,10H2,1-4H3,(H,19,20,21).
What are the key properties of 2-tert-butyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine?
2-tert-butyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 332.47 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 133402443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).