1-[6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide

C13H21N5O — CID 80799616

IUPAC1-[6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide
SMILESCCNc1cc(N2CCC(C(=O)NC)CC2)ncn1
InChIInChI=1S/C13H21N5O/c1-3-15-11-8-12(17-9-16-11)18-6-4-10(5-7-18)13(19)14-2/h8-10H,3-7H2,1-2H3,(H,14,19)(H,15,16,17)
InChIKeyYQOBNZYKMHJJHI-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.87
Rot. Bonds4

About 1-[6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide

1-[6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide (PubChem CID 80799616) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide
PubChem CID80799616
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-[6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide
SMILESCCNc1cc(N2CCC(C(=O)NC)CC2)ncn1
InChIInChI=1S/C13H21N5O/c1-3-15-11-8-12(17-9-16-11)18-6-4-10(5-7-18)13(19)14-2/h8-10H,3-7H2,1-2H3,(H,14,19)(H,15,16,17)
InChIKeyYQOBNZYKMHJJHI-UHFFFAOYSA-N
XLogP0.87
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine
CID 80834548
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 122327457
ethyl 1-[6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 122281740
1-[6-(ethylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674454
N-ethyl-6-(4-propylazepan-1-yl)pyrimidin-4-amine
CID 80837648
N-(6-piperidin-1-ylpyrimidin-4-yl)cyclopentanecarboxamide
CID 90544433
1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192683
1-(6-methylpyridazin-3-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90544737
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 166605798
N-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80757593
(1R)-1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 97245444
N-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide
CID 113481499

Frequently Asked Questions

What is the IUPAC name of 1-[6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide (CID 80799616) is 1-[6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide is CCNc1cc(N2CCC(C(=O)NC)CC2)ncn1.
What is the InChIKey of 1-[6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide?
The InChIKey is YQOBNZYKMHJJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-15-11-8-12(17-9-16-11)18-6-4-10(5-7-18)13(19)14-2/h8-10H,3-7H2,1-2H3,(H,14,19)(H,15,16,17).
What are the key properties of 1-[6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide?
1-[6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 80799616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).