4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine

C13H17N5S — CID 71427413

IUPAC4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine
SMILESCNC1CCN(c2cc(-c3cccs3)nc(N)n2)C1
InChIInChI=1S/C13H17N5S/c1-15-9-4-5-18(8-9)12-7-10(16-13(14)17-12)11-3-2-6-19-11/h2-3,6-7,9,15H,4-5,8H2,1H3,(H2,14,16,17)
InChIKeyLPQJIJSNDQNBQL-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.59
Rot. Bonds3

About 4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine

4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine (PubChem CID 71427413) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine
PubChem CID71427413
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine
SMILESCNC1CCN(c2cc(-c3cccs3)nc(N)n2)C1
InChIInChI=1S/C13H17N5S/c1-15-9-4-5-18(8-9)12-7-10(16-13(14)17-12)11-3-2-6-19-11/h2-3,6-7,9,15H,4-5,8H2,1H3,(H2,14,16,17)
InChIKeyLPQJIJSNDQNBQL-UHFFFAOYSA-N
XLogP1.59
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(methylamino)pyrrolidin-1-yl]-6-(3-methylphenyl)pyrimidin-2-amine
CID 11280824
3-[2-amino-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]phenol
CID 11176891
2-[2-amino-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]benzonitrile
CID 23069241
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 159912281
4-[3-(methylamino)pyrrolidin-1-yl]-6-(3-nitrophenyl)pyrimidin-2-amine;trihydrochloride
CID 11258778
4-[5-(difluoromethyl)-1H-pyrazol-3-yl]-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 146487020
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 53377888
4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 141402801
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylcyclopropyl)pyrimidine-2,4-diamine
CID 24745834
4-(2-adamantyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 59777293
4-[3-(methylamino)pyrrolidin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine
CID 66741197
4-[2-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-1-methylpyrazole-5-carbonitrile
CID 166765711

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine (CID 71427413) is 4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine is CNC1CCN(c2cc(-c3cccs3)nc(N)n2)C1.
What is the InChIKey of 4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine?
The InChIKey is LPQJIJSNDQNBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-15-9-4-5-18(8-9)12-7-10(16-13(14)17-12)11-3-2-6-19-11/h2-3,6-7,9,15H,4-5,8H2,1H3,(H2,14,16,17).
What are the key properties of 4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine?
4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine has a molecular weight of 275.38 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine is sourced from PubChem (CID 71427413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).