N,N,4-trimethyl-5-[1-(propylamino)ethyl]pyrimidin-2-amine

C12H22N4 — CID 62770147

IUPACN,N,4-trimethyl-5-[1-(propylamino)ethyl]pyrimidin-2-amine
SMILESCCCNC(C)c1cnc(N(C)C)nc1C
InChIInChI=1S/C12H22N4/c1-6-7-13-9(2)11-8-14-12(16(4)5)15-10(11)3/h8-9,13H,6-7H2,1-5H3
InChIKeyFCRCZZMDXVQNCY-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.91
Rot. Bonds5

About N,N,4-trimethyl-5-[1-(propylamino)ethyl]pyrimidin-2-amine

N,N,4-trimethyl-5-[1-(propylamino)ethyl]pyrimidin-2-amine (PubChem CID 62770147) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N,N,4-trimethyl-5-[1-(propylamino)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-5-[1-(propylamino)ethyl]pyrimidin-2-amine
PubChem CID62770147
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN,N,4-trimethyl-5-[1-(propylamino)ethyl]pyrimidin-2-amine
SMILESCCCNC(C)c1cnc(N(C)C)nc1C
InChIInChI=1S/C12H22N4/c1-6-7-13-9(2)11-8-14-12(16(4)5)15-10(11)3/h8-9,13H,6-7H2,1-5H3
InChIKeyFCRCZZMDXVQNCY-UHFFFAOYSA-N
XLogP1.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]propan-1-amine
CID 62771736
N-[1-(2-cyclohexyl-4-methylpyrimidin-5-yl)ethyl]propan-1-amine
CID 62771560
N-[1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 62769429
1-[2-[2-(dimethylamino)ethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
CID 113291435
5-[(1R)-1-aminoethyl]-N,N-diethyl-4-methylpyrimidin-2-amine
CID 94587541
N-ethyl-1-[4-methyl-2-(3-methylcyclopentyl)pyrimidin-5-yl]ethanamine
CID 65414648
N-cyclohexyl-5-[(1S)-1-[(2-ethylpyrimidin-5-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine
CID 26391654
N,4-dimethyl-N-(3-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83185277
N,4-dimethyl-N-(2-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83185424
(2S)-1-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propan-2-ol
CID 103906385
N-cyclohexyl-N,4-dimethyl-5-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]pyrimidin-2-amine
CID 45190775
N-[1-[1-(2-methoxyethoxy)naphthalen-2-yl]ethyl]propan-1-amine
CID 43475279

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-5-[1-(propylamino)ethyl]pyrimidin-2-amine?
The IUPAC name of N,N,4-trimethyl-5-[1-(propylamino)ethyl]pyrimidin-2-amine (CID 62770147) is N,N,4-trimethyl-5-[1-(propylamino)ethyl]pyrimidin-2-amine.
What is the SMILES notation for N,N,4-trimethyl-5-[1-(propylamino)ethyl]pyrimidin-2-amine?
The canonical SMILES for N,N,4-trimethyl-5-[1-(propylamino)ethyl]pyrimidin-2-amine is CCCNC(C)c1cnc(N(C)C)nc1C.
What is the InChIKey of N,N,4-trimethyl-5-[1-(propylamino)ethyl]pyrimidin-2-amine?
The InChIKey is FCRCZZMDXVQNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-6-7-13-9(2)11-8-14-12(16(4)5)15-10(11)3/h8-9,13H,6-7H2,1-5H3.
What are the key properties of N,N,4-trimethyl-5-[1-(propylamino)ethyl]pyrimidin-2-amine?
N,N,4-trimethyl-5-[1-(propylamino)ethyl]pyrimidin-2-amine has a molecular weight of 222.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-5-[1-(propylamino)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 62770147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).