3-[4,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]-2-methylpropan-1-amine

C15H22N4S — CID 65294046

IUPAC3-[4,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]-2-methylpropan-1-amine
SMILESCc1nc(Cc2nc(C)c(CC(C)CN)c(C)n2)cs1
InChIInChI=1S/C15H22N4S/c1-9(7-16)5-14-10(2)17-15(18-11(14)3)6-13-8-20-12(4)19-13/h8-9H,5-7,16H2,1-4H3
InChIKeyKNZCJYRSCLWCHY-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.59
Rot. Bonds5

About 3-[4,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]-2-methylpropan-1-amine

3-[4,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]-2-methylpropan-1-amine (PubChem CID 65294046) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 3-[4,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]-2-methylpropan-1-amine
PubChem CID65294046
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name3-[4,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]-2-methylpropan-1-amine
SMILESCc1nc(Cc2nc(C)c(CC(C)CN)c(C)n2)cs1
InChIInChI=1S/C15H22N4S/c1-9(7-16)5-14-10(2)17-15(18-11(14)3)6-13-8-20-12(4)19-13/h8-9H,5-7,16H2,1-4H3
InChIKeyKNZCJYRSCLWCHY-UHFFFAOYSA-N
XLogP2.59
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]-2-methylpropan-1-amine with MolForge

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Related Compounds

2-methyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 81073324
5-iodo-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 66307490
3-[2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine
CID 65294050
(1S)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]ethanol
CID 94607488
4-[(4-chloro-5-iodo-6-propan-2-ylpyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole
CID 66294245
6-tert-butyl-5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 66307028
N-(2-methylpropyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65267638
N-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 62800359
N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,4-diamine
CID 80544051
2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 79420680
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine
CID 62797947
2-methyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine
CID 116965082

Frequently Asked Questions

What is the IUPAC name of 3-[4,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[4,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]-2-methylpropan-1-amine (CID 65294046) is 3-[4,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[4,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[4,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]-2-methylpropan-1-amine is Cc1nc(Cc2nc(C)c(CC(C)CN)c(C)n2)cs1.
What is the InChIKey of 3-[4,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]-2-methylpropan-1-amine?
The InChIKey is KNZCJYRSCLWCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-9(7-16)5-14-10(2)17-15(18-11(14)3)6-13-8-20-12(4)19-13/h8-9H,5-7,16H2,1-4H3.
What are the key properties of 3-[4,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]-2-methylpropan-1-amine?
3-[4,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]-2-methylpropan-1-amine has a molecular weight of 290.44 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 65294046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).