1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide

C17H30N6O — CID 117084336

IUPAC1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCCNc1cc(N2CCCC(C(=O)N(CC)CC)C2)nc(N)n1
InChIInChI=1S/C17H30N6O/c1-4-9-19-14-11-15(21-17(18)20-14)23-10-7-8-13(12-23)16(24)22(5-2)6-3/h11,13H,4-10,12H2,1-3H3,(H3,18,19,20,21)
InChIKeyROUOVTOYOOYGGI-UHFFFAOYSA-N
MW334.47 g/mol
LogP1.97
Rot. Bonds7

About 1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide

1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide (PubChem CID 117084336) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is 1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide
PubChem CID117084336
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC Name1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCCNc1cc(N2CCCC(C(=O)N(CC)CC)C2)nc(N)n1
InChIInChI=1S/C17H30N6O/c1-4-9-19-14-11-15(21-17(18)20-14)23-10-7-8-13(12-23)16(24)22(5-2)6-3/h11,13H,4-10,12H2,1-3H3,(H3,18,19,20,21)
InChIKeyROUOVTOYOOYGGI-UHFFFAOYSA-N
XLogP1.97
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide (CID 117084336) is 1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide is CCCNc1cc(N2CCCC(C(=O)N(CC)CC)C2)nc(N)n1.
What is the InChIKey of 1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is ROUOVTOYOOYGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O/c1-4-9-19-14-11-15(21-17(18)20-14)23-10-7-8-13(12-23)16(24)22(5-2)6-3/h11,13H,4-10,12H2,1-3H3,(H3,18,19,20,21).
What are the key properties of 1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide?
1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 117084336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).