N,5-dimethyl-6-(3-methylthiophen-2-yl)-2-propylpyrimidin-4-amine

C14H19N3S — CID 80977443

IUPACN,5-dimethyl-6-(3-methylthiophen-2-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)c(C)c(-c2sccc2C)n1
InChIInChI=1S/C14H19N3S/c1-5-6-11-16-12(10(3)14(15-4)17-11)13-9(2)7-8-18-13/h7-8H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyQFKGMNCXNCLZHS-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.82
Rot. Bonds4

About N,5-dimethyl-6-(3-methylthiophen-2-yl)-2-propylpyrimidin-4-amine

N,5-dimethyl-6-(3-methylthiophen-2-yl)-2-propylpyrimidin-4-amine (PubChem CID 80977443) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N,5-dimethyl-6-(3-methylthiophen-2-yl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-6-(3-methylthiophen-2-yl)-2-propylpyrimidin-4-amine
PubChem CID80977443
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN,5-dimethyl-6-(3-methylthiophen-2-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)c(C)c(-c2sccc2C)n1
InChIInChI=1S/C14H19N3S/c1-5-6-11-16-12(10(3)14(15-4)17-11)13-9(2)7-8-18-13/h7-8H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyQFKGMNCXNCLZHS-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-dimethyl-2-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80991399
N,5-dimethyl-2-propyl-6-(2-propylpyrazol-3-yl)pyrimidin-4-amine
CID 80976645
6-N-ethyl-5-methyl-4-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80992880
6-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80985045
6-hydrazinyl-5-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine
CID 81007066
4-N-(2,4-dimethylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80977022
4-N-(5-chloro-2-methylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80976793
6-(3-methylthiophen-2-yl)-N,5-dipropylpyrimidin-4-amine
CID 79992418
4-N-(4-ethylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80982111
5-methyl-N,2-dipropyl-6-thiophen-3-ylpyrimidin-4-amine
CID 80976401
4-N-(2-iodophenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80976900
2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 79412131

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-6-(3-methylthiophen-2-yl)-2-propylpyrimidin-4-amine?
The IUPAC name of N,5-dimethyl-6-(3-methylthiophen-2-yl)-2-propylpyrimidin-4-amine (CID 80977443) is N,5-dimethyl-6-(3-methylthiophen-2-yl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for N,5-dimethyl-6-(3-methylthiophen-2-yl)-2-propylpyrimidin-4-amine?
The canonical SMILES for N,5-dimethyl-6-(3-methylthiophen-2-yl)-2-propylpyrimidin-4-amine is CCCc1nc(NC)c(C)c(-c2sccc2C)n1.
What is the InChIKey of N,5-dimethyl-6-(3-methylthiophen-2-yl)-2-propylpyrimidin-4-amine?
The InChIKey is QFKGMNCXNCLZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-5-6-11-16-12(10(3)14(15-4)17-11)13-9(2)7-8-18-13/h7-8H,5-6H2,1-4H3,(H,15,16,17).
What are the key properties of N,5-dimethyl-6-(3-methylthiophen-2-yl)-2-propylpyrimidin-4-amine?
N,5-dimethyl-6-(3-methylthiophen-2-yl)-2-propylpyrimidin-4-amine has a molecular weight of 261.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-6-(3-methylthiophen-2-yl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80977443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).