6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine

C14H18N4S — CID 122282355

IUPAC6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
SMILESc1csc(CCNc2cc(N3CCCC3)ncn2)c1
InChIInChI=1S/C14H18N4S/c1-2-8-18(7-1)14-10-13(16-11-17-14)15-6-5-12-4-3-9-19-12/h3-4,9-11H,1-2,5-8H2,(H,15,16,17)
InChIKeyWKBVIJMQVQQGDK-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.79
Rot. Bonds5

About 6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine

6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine (PubChem CID 122282355) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
PubChem CID122282355
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
SMILESc1csc(CCNc2cc(N3CCCC3)ncn2)c1
InChIInChI=1S/C14H18N4S/c1-2-8-18(7-1)14-10-13(16-11-17-14)15-6-5-12-4-3-9-19-12/h3-4,9-11H,1-2,5-8H2,(H,15,16,17)
InChIKeyWKBVIJMQVQQGDK-UHFFFAOYSA-N
XLogP2.79
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-propyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80778240
N-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133397420
4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol
CID 154745147
6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
CID 112857039
1-methyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122327656
N-[2-(2,4-dichlorophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855709
1-(6-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 133304116
N-[2-(2,4-dichlorophenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856076
3-(2-pyrrolidin-1-yl-4-pyridinyl)-N-(2-thiophen-2-ylethyl)propanamide
CID 53185937
6-(azepan-1-yl)-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 23489869
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 53069547
6-piperidin-1-yl-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine
CID 133280938

Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine (CID 122282355) is 6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine is c1csc(CCNc2cc(N3CCCC3)ncn2)c1.
What is the InChIKey of 6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine?
The InChIKey is WKBVIJMQVQQGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-2-8-18(7-1)14-10-13(16-11-17-14)15-6-5-12-4-3-9-19-12/h3-4,9-11H,1-2,5-8H2,(H,15,16,17).
What are the key properties of 6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine?
6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine has a molecular weight of 274.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 122282355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).