N,N-diethyl-4-methyl-6-piperazin-1-ylpyrimidin-2-amine

C13H23N5 — CID 83726827

IUPACN,N-diethyl-4-methyl-6-piperazin-1-ylpyrimidin-2-amine
SMILESCCN(CC)c1nc(C)cc(N2CCNCC2)n1
InChIInChI=1S/C13H23N5/c1-4-17(5-2)13-15-11(3)10-12(16-13)18-8-6-14-7-9-18/h10,14H,4-9H2,1-3H3
InChIKeyOEWHOYRDNZAWBZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.04
Rot. Bonds4

About N,N-diethyl-4-methyl-6-piperazin-1-ylpyrimidin-2-amine

N,N-diethyl-4-methyl-6-piperazin-1-ylpyrimidin-2-amine (PubChem CID 83726827) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N,N-diethyl-4-methyl-6-piperazin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-methyl-6-piperazin-1-ylpyrimidin-2-amine
PubChem CID83726827
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN,N-diethyl-4-methyl-6-piperazin-1-ylpyrimidin-2-amine
SMILESCCN(CC)c1nc(C)cc(N2CCNCC2)n1
InChIInChI=1S/C13H23N5/c1-4-17(5-2)13-15-11(3)10-12(16-13)18-8-6-14-7-9-18/h10,14H,4-9H2,1-3H3
InChIKeyOEWHOYRDNZAWBZ-UHFFFAOYSA-N
XLogP1.04
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-4-(4-methylpiperazin-1-yl)-6-piperazin-1-ylpyrimidin-2-amine
CID 22418791
ethyl 4-[2-(diethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112923272
4-methyl-N,N-dipropyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909304
4-methyl-6-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpyrimidine
CID 99980092
4-methyl-6-piperazin-1-yl-N-propylpyrimidin-2-amine
CID 80837570
(4-methyl-6-piperazin-1-ylpyrimidin-2-yl)hydrazine
CID 80917500
1-[4-[2-(dipropylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914871
2-N,2-N,3-N,3-N-tetraethyl-6-piperazin-1-ylpyridine-2,3-diamine
CID 14654942
2-(2-chlorophenyl)-4-methyl-6-piperazin-1-ylpyrimidine
CID 82169345
N-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidin-2-amine
CID 112918985
N-methyl-N'-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-N'-propylethane-1,2-diamine
CID 163473373
N-ethyl-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidin-2-amine
CID 112923459

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methyl-6-piperazin-1-ylpyrimidin-2-amine?
The IUPAC name of N,N-diethyl-4-methyl-6-piperazin-1-ylpyrimidin-2-amine (CID 83726827) is N,N-diethyl-4-methyl-6-piperazin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N,N-diethyl-4-methyl-6-piperazin-1-ylpyrimidin-2-amine?
The canonical SMILES for N,N-diethyl-4-methyl-6-piperazin-1-ylpyrimidin-2-amine is CCN(CC)c1nc(C)cc(N2CCNCC2)n1.
What is the InChIKey of N,N-diethyl-4-methyl-6-piperazin-1-ylpyrimidin-2-amine?
The InChIKey is OEWHOYRDNZAWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-4-17(5-2)13-15-11(3)10-12(16-13)18-8-6-14-7-9-18/h10,14H,4-9H2,1-3H3.
What are the key properties of N,N-diethyl-4-methyl-6-piperazin-1-ylpyrimidin-2-amine?
N,N-diethyl-4-methyl-6-piperazin-1-ylpyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methyl-6-piperazin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 83726827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).