3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-ethylpropanamide

C17H27N5O — CID 53174471

IUPAC3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCC1CCCN(c2cc(NC3CC3)ncn2)C1
InChIInChI=1S/C17H27N5O/c1-2-18-17(23)8-5-13-4-3-9-22(11-13)16-10-15(19-12-20-16)21-14-6-7-14/h10,12-14H,2-9,11H2,1H3,(H,18,23)(H,19,20,21)
InChIKeyRHJJFEUTDZIVHS-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.18
Rot. Bonds7

About 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-ethylpropanamide

3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-ethylpropanamide (PubChem CID 53174471) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-ethylpropanamide
PubChem CID53174471
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCC1CCCN(c2cc(NC3CC3)ncn2)C1
InChIInChI=1S/C17H27N5O/c1-2-18-17(23)8-5-13-4-3-9-22(11-13)16-10-15(19-12-20-16)21-14-6-7-14/h10,12-14H,2-9,11H2,1H3,(H,18,23)(H,19,20,21)
InChIKeyRHJJFEUTDZIVHS-UHFFFAOYSA-N
XLogP2.18
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 17590602
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid cycloheptylamide
CID 3223374
1-((3S,4S)-4-amino-1-(6-(cyclopropylamino)pyrimidin-4-yl)pyrrolidin-3-yl)piperidin-2-one
CID 53318987
2-{1-[2-(Methylamino)pyrimidin-4-YL]piperidin-4-YL}-N-(3-methylbutyl)acetamide
CID 53189388
N-(cyclohexylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223371
3-{1-[(2-amino-5-pyrimidinyl)methyl]-4-piperidinyl}-N-cyclopropylpropanamide
CID 42159894
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]cyclopropanecarboxamide
CID 71795033
N-{[4-(dimethylamino)pyrimidin-2-yl]methyl}cyclohexanecarboxamide
CID 72718211
4-(4-Amino-2-pyrimidinyl)-9-ethyl-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72881484
N-[1-(cyclopentylcarbonyl)piperidin-4-yl]pyrimidin-4-amine
CID 72888219
N-cyclopentyl-3-methyl-1-(2-methylpyrimidin-4-yl)piperidine-3-carboxamide
CID 110269120
[1-[6-(Cyclopentylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 155542518

Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-ethylpropanamide?
The IUPAC name of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-ethylpropanamide (CID 53174471) is 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-ethylpropanamide.
What is the SMILES notation for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-ethylpropanamide?
The canonical SMILES for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-ethylpropanamide is CCNC(=O)CCC1CCCN(c2cc(NC3CC3)ncn2)C1.
What is the InChIKey of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-ethylpropanamide?
The InChIKey is RHJJFEUTDZIVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-2-18-17(23)8-5-13-4-3-9-22(11-13)16-10-15(19-12-20-16)21-14-6-7-14/h10,12-14H,2-9,11H2,1H3,(H,18,23)(H,19,20,21).
What are the key properties of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-ethylpropanamide?
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-ethylpropanamide has a molecular weight of 317.44 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-ethylpropanamide is sourced from PubChem (CID 53174471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).