6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine

C13H18N4S — CID 103764750

IUPAC6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NCc2ncc(C)s2)nc(C(C)C)n1
InChIInChI=1S/C13H18N4S/c1-8(2)13-16-9(3)5-11(17-13)14-7-12-15-6-10(4)18-12/h5-6,8H,7H2,1-4H3,(H,14,16,17)
InChIKeyLVQPCQWLMRKBJZ-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.29
Rot. Bonds4

About 6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine

6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 103764750) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID103764750
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NCc2ncc(C)s2)nc(C(C)C)n1
InChIInChI=1S/C13H18N4S/c1-8(2)13-16-9(3)5-11(17-13)14-7-12-15-6-10(4)18-12/h5-6,8H,7H2,1-4H3,(H,14,16,17)
InChIKeyLVQPCQWLMRKBJZ-UHFFFAOYSA-N
XLogP3.29
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-propan-2-yl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 60965790
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113222606
6-methyl-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 79362563
1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)butane-1,2-diamine
CID 63732652
6-chloro-2-cyclopropyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 103880239
2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 63962761
N',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 43395227
N-[(3-ethyl-2-pyridinyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 82739374
N-[(3-fluorophenyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 43428292
6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960412
2-N,2-N,2-trimethyl-1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,2-diamine
CID 54941206

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine (CID 103764750) is 6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine is Cc1cc(NCc2ncc(C)s2)nc(C(C)C)n1.
What is the InChIKey of 6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is LVQPCQWLMRKBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-8(2)13-16-9(3)5-11(17-13)14-7-12-15-6-10(4)18-12/h5-6,8H,7H2,1-4H3,(H,14,16,17).
What are the key properties of 6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine?
6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 262.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 103764750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).