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

C13H16N4S — CID 133413055

IUPAC2-cyclopropyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCN(CCc1nccs1)c1ccnc(C2CC2)n1
InChIInChI=1S/C13H16N4S/c1-17(8-5-12-14-7-9-18-12)11-4-6-15-13(16-11)10-2-3-10/h4,6-7,9-10H,2-3,5,8H2,1H3
InChIKeyDVPSLPPKBBVMLR-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.49
Rot. Bonds5

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

2-cyclopropyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 133413055) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 2-cyclopropyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
PubChem CID133413055
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name2-cyclopropyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCN(CCc1nccs1)c1ccnc(C2CC2)n1
InChIInChI=1S/C13H16N4S/c1-17(8-5-12-14-7-9-18-12)11-4-6-15-13(16-11)10-2-3-10/h4,6-7,9-10H,2-3,5,8H2,1H3
InChIKeyDVPSLPPKBBVMLR-UHFFFAOYSA-N
XLogP2.49
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-ethyl-N-methylpyrimidin-4-amine
CID 66911129
3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile
CID 133370479
N-(cyclopentylmethyl)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 133304236
N,6-dimethyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 133412898
N-methyl-6-piperidin-1-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 133413104
N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinolin-2-amine
CID 133413137
2-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 133304164
2-cyclopropyl-N-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine
CID 129338507
N-methyl-3-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133412957
2-cyclopropyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80955502
N-(2-bromophenyl)-2-[(2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide
CID 99806560
N-methyl-3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 133413068

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine (CID 133413055) is 2-cyclopropyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine is CN(CCc1nccs1)c1ccnc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is DVPSLPPKBBVMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-17(8-5-12-14-7-9-18-12)11-4-6-15-13(16-11)10-2-3-10/h4,6-7,9-10H,2-3,5,8H2,1H3.
What are the key properties of 2-cyclopropyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
2-cyclopropyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 260.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 133413055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).