2-cyclopropyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine

C14H17N3S — CID 133336493

IUPAC2-cyclopropyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
SMILESCCC(Nc1ccnc(C2CC2)n1)c1cccs1
InChIInChI=1S/C14H17N3S/c1-2-11(12-4-3-9-18-12)16-13-7-8-15-14(17-13)10-5-6-10/h3-4,7-11H,2,5-6H2,1H3,(H,15,16,17)
InChIKeyIVOUYLJCJFFJGR-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.98
Rot. Bonds5

About 2-cyclopropyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine

2-cyclopropyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine (PubChem CID 133336493) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 2-cyclopropyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
PubChem CID133336493
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name2-cyclopropyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
SMILESCCC(Nc1ccnc(C2CC2)n1)c1cccs1
InChIInChI=1S/C14H17N3S/c1-2-11(12-4-3-9-18-12)16-13-7-8-15-14(17-13)10-5-6-10/h3-4,7-11H,2,5-6H2,1H3,(H,15,16,17)
InChIKeyIVOUYLJCJFFJGR-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80960729
2-N-ethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807159
2-(1-thiophen-2-ylpropylamino)pyridine-4-carbothioamide
CID 54964485
6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 80896972
5-tert-butyl-N-(1-thiophen-2-ylpropyl)pyridin-2-amine
CID 107874590
2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 62480981
6-ethyl-2-pyridin-2-yl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 133336468
4-cyclopentylsulfanyl-N-(1-thiophen-2-ylpropyl)aniline
CID 43726275
N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 54983030
2-tert-butyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine
CID 80961783
2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80808164
2-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 133300088

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine (CID 133336493) is 2-cyclopropyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine is CCC(Nc1ccnc(C2CC2)n1)c1cccs1.
What is the InChIKey of 2-cyclopropyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine?
The InChIKey is IVOUYLJCJFFJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-2-11(12-4-3-9-18-12)16-13-7-8-15-14(17-13)10-5-6-10/h3-4,7-11H,2,5-6H2,1H3,(H,15,16,17).
What are the key properties of 2-cyclopropyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine?
2-cyclopropyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine has a molecular weight of 259.38 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 133336493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).