1-(2,6-diaminopyrimidin-4-yl)-N,N-diethylpiperidine-3-carboxamide

C14H24N6O — CID 117089492

IUPAC1-(2,6-diaminopyrimidin-4-yl)-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2cc(N)nc(N)n2)C1
InChIInChI=1S/C14H24N6O/c1-3-19(4-2)13(21)10-6-5-7-20(9-10)12-8-11(15)17-14(16)18-12/h8,10H,3-7,9H2,1-2H3,(H4,15,16,17,18)
InChIKeyIFLXXOKSEKHBQT-UHFFFAOYSA-N
MW292.39 g/mol
LogP0.73
Rot. Bonds4

About 1-(2,6-diaminopyrimidin-4-yl)-N,N-diethylpiperidine-3-carboxamide

1-(2,6-diaminopyrimidin-4-yl)-N,N-diethylpiperidine-3-carboxamide (PubChem CID 117089492) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-(2,6-diaminopyrimidin-4-yl)-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-diaminopyrimidin-4-yl)-N,N-diethylpiperidine-3-carboxamide
PubChem CID117089492
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name1-(2,6-diaminopyrimidin-4-yl)-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2cc(N)nc(N)n2)C1
InChIInChI=1S/C14H24N6O/c1-3-19(4-2)13(21)10-6-5-7-20(9-10)12-8-11(15)17-14(16)18-12/h8,10H,3-7,9H2,1-2H3,(H4,15,16,17,18)
InChIKeyIFLXXOKSEKHBQT-UHFFFAOYSA-N
XLogP0.73
TPSA101.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,6-Diamino-pyrimidin-2-ylsulfanyl)-1-(4-methyl-piperidin-1-yl)-ethanone
CID 646575
1-(2-Amino-6-chloro-4-pyrimidinyl)-4-piperidinecarboxamide
CID 1484522
[1-[6-(Dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 155515923
2-{1-[2-(Methylamino)pyrimidin-4-YL]piperidin-4-YL}-N-(3-methylbutyl)acetamide
CID 53189388
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]cyclopropanecarboxamide
CID 71795033
N-(cyclopropylmethyl)-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl}propanamide
CID 53188682
N-cyclopentyl-3-{1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl}propanamide
CID 53188519
N-ethyl-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl}propanamide
CID 53188586
N-[2-(Azepan-1-YL)ethyl]-3-{1-[6-(propylamino)pyrimidin-4-YL]piperidin-4-YL}propanamide
CID 53188711
N-propyl-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl}propanamide
CID 53188722
N-butyl-3-{1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl}-N-methylpropanamide
CID 53188789
2-{1-[2-(Ethylamino)pyrimidin-4-YL]piperidin-4-YL}-N-isobutylacetamide
CID 53189293

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diaminopyrimidin-4-yl)-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of 1-(2,6-diaminopyrimidin-4-yl)-N,N-diethylpiperidine-3-carboxamide (CID 117089492) is 1-(2,6-diaminopyrimidin-4-yl)-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2,6-diaminopyrimidin-4-yl)-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2,6-diaminopyrimidin-4-yl)-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(c2cc(N)nc(N)n2)C1.
What is the InChIKey of 1-(2,6-diaminopyrimidin-4-yl)-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is IFLXXOKSEKHBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-3-19(4-2)13(21)10-6-5-7-20(9-10)12-8-11(15)17-14(16)18-12/h8,10H,3-7,9H2,1-2H3,(H4,15,16,17,18).
What are the key properties of 1-(2,6-diaminopyrimidin-4-yl)-N,N-diethylpiperidine-3-carboxamide?
1-(2,6-diaminopyrimidin-4-yl)-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 292.39 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diaminopyrimidin-4-yl)-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 117089492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).