1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidine-3-carboxamide

C14H24N6O — CID 66903414

IUPAC1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidine-3-carboxamide
SMILESCN(C)CCNc1ccnc(N2CCCC(C(N)=O)C2)n1
InChIInChI=1S/C14H24N6O/c1-19(2)9-7-16-12-5-6-17-14(18-12)20-8-3-4-11(10-20)13(15)21/h5-6,11H,3-4,7-10H2,1-2H3,(H2,15,21)(H,16,17,18)
InChIKeyICXBVDKOZXCJDH-UHFFFAOYSA-N
MW292.39 g/mol
LogP0.15
Rot. Bonds6

About 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidine-3-carboxamide

1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidine-3-carboxamide (PubChem CID 66903414) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidine-3-carboxamide
PubChem CID66903414
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidine-3-carboxamide
SMILESCN(C)CCNc1ccnc(N2CCCC(C(N)=O)C2)n1
InChIInChI=1S/C14H24N6O/c1-19(2)9-7-16-12-5-6-17-14(18-12)20-8-3-4-11(10-20)13(15)21/h5-6,11H,3-4,7-10H2,1-2H3,(H2,15,21)(H,16,17,18)
InChIKeyICXBVDKOZXCJDH-UHFFFAOYSA-N
XLogP0.15
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 66903521
ethyl 4-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperazine-1-carboxylate
CID 112887005
1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-3-carboxamide
CID 162637727
3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propanoic acid
CID 122048200
1-(4-carbamothioylpyrimidin-2-yl)pyrrolidine-3-carboxamide
CID 114081983
N-(3-methylbutyl)-2-piperidin-1-ylpyrimidin-4-amine
CID 112884684
(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330
1-[[2-(propylamino)-4-pyridinyl]methyl]piperidine-3-carboxamide
CID 62471287
(3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452556
N',N'-dimethyl-N-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 112912830
N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887033
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112896931

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidine-3-carboxamide (CID 66903414) is 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidine-3-carboxamide is CN(C)CCNc1ccnc(N2CCCC(C(N)=O)C2)n1.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidine-3-carboxamide?
The InChIKey is ICXBVDKOZXCJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-19(2)9-7-16-12-5-6-17-14(18-12)20-8-3-4-11(10-20)13(15)21/h5-6,11H,3-4,7-10H2,1-2H3,(H2,15,21)(H,16,17,18).
What are the key properties of 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidine-3-carboxamide?
1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidine-3-carboxamide has a molecular weight of 292.39 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 66903414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).