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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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).