6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine

C18H27N5OS — CID 91771013

IUPAC6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
SMILESCOCc1nc(C2CC(N)C2)cc(N(C)Cc2csc(C(C)C)n2)n1
InChIInChI=1S/C18H27N5OS/c1-11(2)18-20-14(10-25-18)8-23(3)17-7-15(12-5-13(19)6-12)21-16(22-17)9-24-4/h7,10-13H,5-6,8-9,19H2,1-4H3
InChIKeyIHNABQYEHYLWGG-UHFFFAOYSA-N
MW361.52 g/mol
LogP3.04
Rot. Bonds7

About 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine

6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 91771013) has the molecular formula C18H27N5OS and a molecular weight of 361.52 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID91771013
Molecular FormulaC18H27N5OS
Molecular Weight361.52 g/mol
Exact Mass361.19
IUPAC Name6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
SMILESCOCc1nc(C2CC(N)C2)cc(N(C)Cc2csc(C(C)C)n2)n1
InChIInChI=1S/C18H27N5OS/c1-11(2)18-20-14(10-25-18)8-23(3)17-7-15(12-5-13(19)6-12)21-16(22-17)9-24-4/h7,10-13H,5-6,8-9,19H2,1-4H3
InChIKeyIHNABQYEHYLWGG-UHFFFAOYSA-N
XLogP3.04
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N~4~-{[2-(dimethylamino)-1,3-thiazol-4-yl]methyl}-6-isopropylpyrimidine-2,4-diamine
CID 72842929
6-propan-2-yl-4-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 72882505
4-methyl-N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95842477
cis-3-(2-Amino-6-{[(4-ethyl-1,3-thiazol-2-yl)methyl]amino}pyrimidin-4-yl)cyclobutanol
CID 91763280
cis-3-(2-Amino-6-{4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl}pyrimidin-4-yl)cyclobutanol
CID 91767586
(cis-3-{2-(Methoxymethyl)-6-[3-(1,3-thiazol-2-yl)azetidin-1-yl]pyrimidin-4-yl}cyclobutyl)amine
CID 91768169
6-(trans-3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(3-methyl-2-thienyl)methyl]-4-pyrimidinamine dihydrochloride
CID 91772552
6-(cis-3-aminocyclobutyl)-2-(methoxymethyl)-N-{[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl}-4-pyrimidinamine dihydrochloride
CID 91786997
N-[cis-3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 91793720
3-(6-{[3-(2-Amino-1,3-thiazol-4-yl)propyl]amino}-2-methylpyrimidin-4-yl)cyclobutanol
CID 91794841
6-(2-Aminoethyl)-N-[(2-isopropyl-1,3-thiazol-4-YL)methyl]-N,2-dimethylpyrimidin-4-amine
CID 56701328
N~4~-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-N~4~-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
CID 56904387

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine (CID 91771013) is 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine is COCc1nc(C2CC(N)C2)cc(N(C)Cc2csc(C(C)C)n2)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is IHNABQYEHYLWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5OS/c1-11(2)18-20-14(10-25-18)8-23(3)17-7-15(12-5-13(19)6-12)21-16(22-17)9-24-4/h7,10-13H,5-6,8-9,19H2,1-4H3.
What are the key properties of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 361.52 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 91771013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).