3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide

C16H25N5O — CID 42159894

IUPAC3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide
SMILESNc1ncc(CN2CCC(CCC(=O)NC3CC3)CC2)cn1
InChIInChI=1S/C16H25N5O/c17-16-18-9-13(10-19-16)11-21-7-5-12(6-8-21)1-4-15(22)20-14-2-3-14/h9-10,12,14H,1-8,11H2,(H,20,22)(H2,17,18,19)
InChIKeyUHZMDRMXHICLKJ-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.33
Rot. Bonds6

About 3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide

3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide (PubChem CID 42159894) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide
PubChem CID42159894
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide
SMILESNc1ncc(CN2CCC(CCC(=O)NC3CC3)CC2)cn1
InChIInChI=1S/C16H25N5O/c17-16-18-9-13(10-19-16)11-21-7-5-12(6-8-21)1-4-15(22)20-14-2-3-14/h9-10,12,14H,1-8,11H2,(H,20,22)(H2,17,18,19)
InChIKeyUHZMDRMXHICLKJ-UHFFFAOYSA-N
XLogP1.33
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.33
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
4-(cyclohexylmethylamino)-2-[3-(2-methylpiperidin-1-yl)propylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 45488495
2-[3-(2-methylpiperidin-1-yl)propylamino]-N-(2-methylpropyl)-4-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 45489239
1-Pyrimidin-2-yl-piperidine-4-carboxylic acid cyclohexylamide
CID 24792244
US8609678, 2-(4-carbamoylpiperidin-1-yl)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide [179]
CID 87356436
(7R)-7-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]-8-oxo-2,9,16,18,21-pentazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide
CID 76281447
N-(cyclohexylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223371
N-Ethyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 3224207
8-{[2-(Propylamino)pyrimidin-5-YL]methyl}-2,8-diazaspiro[4.5]decan-3-one
CID 50975473
5-ethyl-2-methyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrimidin-4-amine
CID 50977220
1-(cyclopropanecarbonyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 53501322

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide?
The IUPAC name of 3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide (CID 42159894) is 3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide is Nc1ncc(CN2CCC(CCC(=O)NC3CC3)CC2)cn1.
What is the InChIKey of 3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide?
The InChIKey is UHZMDRMXHICLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c17-16-18-9-13(10-19-16)11-21-7-5-12(6-8-21)1-4-15(22)20-14-2-3-14/h9-10,12,14H,1-8,11H2,(H,20,22)(H2,17,18,19).
What are the key properties of 3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide?
3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide has a molecular weight of 303.41 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 42159894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).