4-(3-aminopyrrolidin-1-yl)-2-ethylidene-N,5-dimethylpyrimidin-1-amine

C12H21N5 — CID 123406639

IUPAC4-(3-aminopyrrolidin-1-yl)-2-ethylidene-N,5-dimethylpyrimidin-1-amine
SMILESCC=C1N=C(N2CCC(N)C2)C(C)=CN1NC
InChIInChI=1S/C12H21N5/c1-4-11-15-12(9(2)7-17(11)14-3)16-6-5-10(13)8-16/h4,7,10,14H,5-6,8,13H2,1-3H3
InChIKeyLXZOVTSWKHYITD-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.63
Rot. Bonds1

About 4-(3-aminopyrrolidin-1-yl)-2-ethylidene-N,5-dimethylpyrimidin-1-amine

4-(3-aminopyrrolidin-1-yl)-2-ethylidene-N,5-dimethylpyrimidin-1-amine (PubChem CID 123406639) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(3-aminopyrrolidin-1-yl)-2-ethylidene-N,5-dimethylpyrimidin-1-amine.

Molecular Properties

Compound Name4-(3-aminopyrrolidin-1-yl)-2-ethylidene-N,5-dimethylpyrimidin-1-amine
PubChem CID123406639
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name4-(3-aminopyrrolidin-1-yl)-2-ethylidene-N,5-dimethylpyrimidin-1-amine
SMILESCC=C1N=C(N2CCC(N)C2)C(C)=CN1NC
InChIInChI=1S/C12H21N5/c1-4-11-15-12(9(2)7-17(11)14-3)16-6-5-10(13)8-16/h4,7,10,14H,5-6,8,13H2,1-3H3
InChIKeyLXZOVTSWKHYITD-UHFFFAOYSA-N
XLogP0.63
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclopropylmethyl)-2H-pyrimidin-1-amine
CID 117719898
1-(1,5-Dimethyl-2-methylidenepyrimidin-4-yl)pyrrolidin-3-amine
CID 123879082
(3S)-1-[(2R)-1,2,6-trimethyl-2H-pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-amine
CID 131996318
2,6-Dimethyl-5-pyrrolidin-1-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine
CID 131996410
(3S)-1-[(Z)-2-methyl-3-(2-methylhydrazinyl)prop-2-enimidoyl]pyrrolidin-3-amine
CID 136635762
ethane;(3S)-1-[(2Z)-2-ethylidene-5-methyl-1-(methylideneamino)pyrimidin-4-yl]pyrrolidin-3-amine
CID 145600906
(3S)-1-[(2Z)-2-ethylidene-5-methyl-1-(methylideneamino)pyrimidin-4-yl]pyrrolidin-3-amine
CID 145600907

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrrolidin-1-yl)-2-ethylidene-N,5-dimethylpyrimidin-1-amine?
The IUPAC name of 4-(3-aminopyrrolidin-1-yl)-2-ethylidene-N,5-dimethylpyrimidin-1-amine (CID 123406639) is 4-(3-aminopyrrolidin-1-yl)-2-ethylidene-N,5-dimethylpyrimidin-1-amine.
What is the SMILES notation for 4-(3-aminopyrrolidin-1-yl)-2-ethylidene-N,5-dimethylpyrimidin-1-amine?
The canonical SMILES for 4-(3-aminopyrrolidin-1-yl)-2-ethylidene-N,5-dimethylpyrimidin-1-amine is CC=C1N=C(N2CCC(N)C2)C(C)=CN1NC.
What is the InChIKey of 4-(3-aminopyrrolidin-1-yl)-2-ethylidene-N,5-dimethylpyrimidin-1-amine?
The InChIKey is LXZOVTSWKHYITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-4-11-15-12(9(2)7-17(11)14-3)16-6-5-10(13)8-16/h4,7,10,14H,5-6,8,13H2,1-3H3.
What are the key properties of 4-(3-aminopyrrolidin-1-yl)-2-ethylidene-N,5-dimethylpyrimidin-1-amine?
4-(3-aminopyrrolidin-1-yl)-2-ethylidene-N,5-dimethylpyrimidin-1-amine has a molecular weight of 235.33 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrrolidin-1-yl)-2-ethylidene-N,5-dimethylpyrimidin-1-amine is sourced from PubChem (CID 123406639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).