5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine

C9H14N4 — CID 80767389

IUPAC5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1c(N)ncnc1N1CCCC1
InChIInChI=1S/C9H14N4/c1-7-8(10)11-6-12-9(7)13-4-2-3-5-13/h6H,2-5H2,1H3,(H2,10,11,12)
InChIKeyYKHAJPZMVANCPE-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.97
Rot. Bonds1

About 5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine

5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 80767389) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID80767389
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1c(N)ncnc1N1CCCC1
InChIInChI=1S/C9H14N4/c1-7-8(10)11-6-12-9(7)13-4-2-3-5-13/h6H,2-5H2,1H3,(H2,10,11,12)
InChIKeyYKHAJPZMVANCPE-UHFFFAOYSA-N
XLogP0.97
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,2-dimethylpropyl)-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80818780
4-Amino-2-(diethylamino)-5-pyrimidinecarbonitrile
CID 2816412
5-{[Ethyl(methyl)amino]methyl}-2-methyl-5,6-dihydropyrimidin-4-amine
CID 448672
5-fluoro-N-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-amine
CID 5302486
4-Amino-6-(piperidin-1-yl)pyrimidine-5-carbonitrile
CID 90436574
5-chloro-4-N-[3-(diethylamino)propyl]-4-N-methylpyrimidine-4,6-diamine
CID 100648603
N~4~,N~4~,5-trimethyl-N~2~-(2-methyl-2-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 131912817
5-Fluoro-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 43822497
6-Fluoro-5-(methyliminomethyl)pyrimidin-4-amine
CID 118363542
2-Tert-butyl-6-(3,3-difluoropyrrolidin-1-yl)-5-methanimidoylpyrimidin-4-amine
CID 129044824
5-(2,2,2-Trifluoroethyliminomethyl)pyrimidine-4,6-diamine
CID 132207894
5-Fluoro-4,6-dipyrrolidin-1-ylpyrimidine
CID 132240233

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of 5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 80767389) is 5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine is Cc1c(N)ncnc1N1CCCC1.
What is the InChIKey of 5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is YKHAJPZMVANCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-7-8(10)11-6-12-9(7)13-4-2-3-5-13/h6H,2-5H2,1H3,(H2,10,11,12).
What are the key properties of 5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 178.24 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 80767389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).