6-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine

C12H14N4S — CID 131939811

IUPAC6-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
SMILESCN(Cc1cscn1)c1cc(C2CC2)ncn1
InChIInChI=1S/C12H14N4S/c1-16(5-10-6-17-8-15-10)12-4-11(9-2-3-9)13-7-14-12/h4,6-9H,2-3,5H2,1H3
InChIKeyYSPJQZLBLAPKAH-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.45
Rot. Bonds4

About 6-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine

6-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine (PubChem CID 131939811) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 6-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
PubChem CID131939811
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name6-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
SMILESCN(Cc1cscn1)c1cc(C2CC2)ncn1
InChIInChI=1S/C12H14N4S/c1-16(5-10-6-17-8-15-10)12-4-11(9-2-3-9)13-7-14-12/h4,6-9H,2-3,5H2,1H3
InChIKeyYSPJQZLBLAPKAH-UHFFFAOYSA-N
XLogP2.45
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-Isopropyl-1,3-thiazol-4-YL)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56864914
4-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-ethylpyrimidine-2,4-diamine
CID 134414944
2-[6-[4-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]ethanamine
CID 45174622
2-Methyl-4-[[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 56882695
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
1-(6-cyclopropylpyrimidin-4-yl)-N-(4-methylthiazol-2-yl)piperidine-4-carboxamide
CID 76146825
4-methyl-N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95842477
N-ethyl-N-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 97381450
2-Methyl-4-[(4-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)methyl]-1,3-thiazole
CID 97515932
4-[(4-Cyclopropyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)methyl]-2-methyl-1,3-thiazole
CID 97516047
N,N-dimethyl-7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 97516349

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine (CID 131939811) is 6-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine is CN(Cc1cscn1)c1cc(C2CC2)ncn1.
What is the InChIKey of 6-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is YSPJQZLBLAPKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-16(5-10-6-17-8-15-10)12-4-11(9-2-3-9)13-7-14-12/h4,6-9H,2-3,5H2,1H3.
What are the key properties of 6-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine?
6-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 246.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 131939811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).