4-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine

C11H15N5S — CID 107542037

IUPAC4-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
SMILESCc1ncsc1CN(C)c1nccc(CN)n1
InChIInChI=1S/C11H15N5S/c1-8-10(17-7-14-8)6-16(2)11-13-4-3-9(5-12)15-11/h3-4,7H,5-6,12H2,1-2H3
InChIKeyGBRRSMIRRAQCJQ-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.34
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine

4-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine (PubChem CID 107542037) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
PubChem CID107542037
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name4-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
SMILESCc1ncsc1CN(C)c1nccc(CN)n1
InChIInChI=1S/C11H15N5S/c1-8-10(17-7-14-8)6-16(2)11-13-4-3-9(5-12)15-11/h3-4,7H,5-6,12H2,1-2H3
InChIKeyGBRRSMIRRAQCJQ-UHFFFAOYSA-N
XLogP1.34
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
CID 55259980
2-N,4-N,4-N-trimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80839437
5-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 63842233
4-(aminomethyl)-2,6-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 63837489
3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,3-diamine
CID 104540410
N,4-dimethyl-5-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
CID 83186171
4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-2-amine
CID 107541586
4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
CID 107541978
4-(aminomethyl)-3-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 115366884
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethane-1,2-diamine
CID 63843483
2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carbothioamide
CID 55260386
4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 107541680

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine (CID 107542037) is 4-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine is Cc1ncsc1CN(C)c1nccc(CN)n1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine?
The InChIKey is GBRRSMIRRAQCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-8-10(17-7-14-8)6-16(2)11-13-4-3-9(5-12)15-11/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine?
4-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine has a molecular weight of 249.34 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 107542037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).