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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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).