2-cyclopropyl-N-propyl-6-thiophen-2-ylpyrimidin-4-amine

C14H17N3S — CID 80952104

IUPAC2-cyclopropyl-N-propyl-6-thiophen-2-ylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cccs2)nc(C2CC2)n1
InChIInChI=1S/C14H17N3S/c1-2-7-15-13-9-11(12-4-3-8-18-12)16-14(17-13)10-5-6-10/h3-4,8-10H,2,5-7H2,1H3,(H,15,16,17)
InChIKeyGEZQVRNOFDDSCM-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.90
Rot. Bonds5

About 2-cyclopropyl-N-propyl-6-thiophen-2-ylpyrimidin-4-amine

2-cyclopropyl-N-propyl-6-thiophen-2-ylpyrimidin-4-amine (PubChem CID 80952104) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 2-cyclopropyl-N-propyl-6-thiophen-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-propyl-6-thiophen-2-ylpyrimidin-4-amine
PubChem CID80952104
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name2-cyclopropyl-N-propyl-6-thiophen-2-ylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cccs2)nc(C2CC2)n1
InChIInChI=1S/C14H17N3S/c1-2-7-15-13-9-11(12-4-3-8-18-12)16-14(17-13)10-5-6-10/h3-4,8-10H,2,5-7H2,1H3,(H,15,16,17)
InChIKeyGEZQVRNOFDDSCM-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine
CID 102838352
2-cyclopropyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80962779
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
2-cyclopropyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine
CID 80952552
6-cyclopropyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 63486835
6-cyclopropyl-N-ethyl-2-thiophen-2-ylpyrimidin-4-amine
CID 63354572
2-cyclopropyl-6-(2,3-dimethylphenyl)-N-propylpyrimidin-4-amine
CID 80949383
2-cyclohexyl-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486677
2-cyclopropyl-6-(2,3-dichlorophenyl)-N-propylpyrimidin-4-amine
CID 80949471
2-cyclopropyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80961678
2-cyclopropyl-4-N,4-N-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80955746
2-cyclopropyl-4-N-[(5-methylthiophen-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80967847

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-propyl-6-thiophen-2-ylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-propyl-6-thiophen-2-ylpyrimidin-4-amine (CID 80952104) is 2-cyclopropyl-N-propyl-6-thiophen-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-propyl-6-thiophen-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-propyl-6-thiophen-2-ylpyrimidin-4-amine is CCCNc1cc(-c2cccs2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-propyl-6-thiophen-2-ylpyrimidin-4-amine?
The InChIKey is GEZQVRNOFDDSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-2-7-15-13-9-11(12-4-3-8-18-12)16-14(17-13)10-5-6-10/h3-4,8-10H,2,5-7H2,1H3,(H,15,16,17).
What are the key properties of 2-cyclopropyl-N-propyl-6-thiophen-2-ylpyrimidin-4-amine?
2-cyclopropyl-N-propyl-6-thiophen-2-ylpyrimidin-4-amine has a molecular weight of 259.38 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-propyl-6-thiophen-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80952104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).