1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-2-carboxamide

C12H20N6O — CID 80806613

IUPAC1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-2-carboxamide
SMILESCCNc1cc(N2CCCCC2C(N)=O)nc(N)n1
InChIInChI=1S/C12H20N6O/c1-2-15-9-7-10(17-12(14)16-9)18-6-4-3-5-8(18)11(13)19/h7-8H,2-6H2,1H3,(H2,13,19)(H3,14,15,16,17)
InChIKeySZKBCQCPTVDDOO-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.33
Rot. Bonds4

About 1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-2-carboxamide

1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-2-carboxamide (PubChem CID 80806613) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-2-carboxamide
PubChem CID80806613
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-2-carboxamide
SMILESCCNc1cc(N2CCCCC2C(N)=O)nc(N)n1
InChIInChI=1S/C12H20N6O/c1-2-15-9-7-10(17-12(14)16-9)18-6-4-3-5-8(18)11(13)19/h7-8H,2-6H2,1H3,(H2,13,19)(H3,14,15,16,17)
InChIKeySZKBCQCPTVDDOO-UHFFFAOYSA-N
XLogP0.33
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-amino-6-hydrazinylpyrimidin-4-yl)piperidine-2-carboxamide
CID 80904574
1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
CID 80785772
[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640645
2-[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidin-2-yl]ethanol
CID 80767376
1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80960881
1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
CID 80940164
1-(6-hydrazinyl-2-propylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 80946575
1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 80937172
1-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80806770
1-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxamide
CID 80964808
1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-2-carboxamide
CID 106775529
1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80960742

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-2-carboxamide?
The IUPAC name of 1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-2-carboxamide (CID 80806613) is 1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-2-carboxamide?
The canonical SMILES for 1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-2-carboxamide is CCNc1cc(N2CCCCC2C(N)=O)nc(N)n1.
What is the InChIKey of 1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-2-carboxamide?
The InChIKey is SZKBCQCPTVDDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-2-15-9-7-10(17-12(14)16-9)18-6-4-3-5-8(18)11(13)19/h7-8H,2-6H2,1H3,(H2,13,19)(H3,14,15,16,17).
What are the key properties of 1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-2-carboxamide?
1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-2-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-2-carboxamide is sourced from PubChem (CID 80806613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).