3-(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)propan-1-amine

C12H20N4 — CID 83889648

IUPAC3-(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)propan-1-amine
SMILESCc1ncc(CCCN)c(N2CCCC2)n1
InChIInChI=1S/C12H20N4/c1-10-14-9-11(5-4-6-13)12(15-10)16-7-2-3-8-16/h9H,2-8,13H2,1H3
InChIKeyGNUBOXAJSINXIZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.28
Rot. Bonds4

About 3-(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)propan-1-amine

3-(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)propan-1-amine (PubChem CID 83889648) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)propan-1-amine
PubChem CID83889648
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name3-(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)propan-1-amine
SMILESCc1ncc(CCCN)c(N2CCCC2)n1
InChIInChI=1S/C12H20N4/c1-10-14-9-11(5-4-6-13)12(15-10)16-7-2-3-8-16/h9H,2-8,13H2,1H3
InChIKeyGNUBOXAJSINXIZ-UHFFFAOYSA-N
XLogP1.28
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 114215762
1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane
CID 135092676
4-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 56864292
5-ethyl-2-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]pyrimidine
CID 95135800
[2-(azepan-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83186430
[2-methyl-4-(4-methylsulfanylazepan-1-yl)pyrimidin-5-yl]methanol
CID 114237753
[4-(2-methyl-5-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(3-methylthiophen-2-yl)methanone
CID 138383444
(2,5-dimethylpyrazol-3-yl)-[4-(2-methyl-5-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 138387793
(5S)-7-(2-methyl-5-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 95210934
2,4-dimethyl-5-piperidin-1-ylpyrimidine
CID 174735831
[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-5-yl]methanol
CID 114215021
3-(4-morpholin-4-ylpyrimidin-5-yl)propan-1-amine
CID 83890770

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)propan-1-amine?
The IUPAC name of 3-(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)propan-1-amine (CID 83889648) is 3-(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)propan-1-amine.
What is the SMILES notation for 3-(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)propan-1-amine?
The canonical SMILES for 3-(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)propan-1-amine is Cc1ncc(CCCN)c(N2CCCC2)n1.
What is the InChIKey of 3-(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)propan-1-amine?
The InChIKey is GNUBOXAJSINXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10-14-9-11(5-4-6-13)12(15-10)16-7-2-3-8-16/h9H,2-8,13H2,1H3.
What are the key properties of 3-(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)propan-1-amine?
3-(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)propan-1-amine has a molecular weight of 220.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)propan-1-amine is sourced from PubChem (CID 83889648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).