2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methylbutyl)acetamide

C17H29N5O — CID 53189388

IUPAC2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methylbutyl)acetamide
SMILESCNc1nccc(N2CCC(CC(=O)NCCC(C)C)CC2)n1
InChIInChI=1S/C17H29N5O/c1-13(2)4-8-19-16(23)12-14-6-10-22(11-7-14)15-5-9-20-17(18-3)21-15/h5,9,13-14H,4,6-8,10-12H2,1-3H3,(H,19,23)(H,18,20,21)
InChIKeyUHFHMCKZKKYPAI-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.29
Rot. Bonds7

About 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methylbutyl)acetamide

2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methylbutyl)acetamide (PubChem CID 53189388) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methylbutyl)acetamide
PubChem CID53189388
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methylbutyl)acetamide
SMILESCNc1nccc(N2CCC(CC(=O)NCCC(C)C)CC2)n1
InChIInChI=1S/C17H29N5O/c1-13(2)4-8-19-16(23)12-14-6-10-22(11-7-14)15-5-9-20-17(18-3)21-15/h5,9,13-14H,4,6-8,10-12H2,1-3H3,(H,19,23)(H,18,20,21)
InChIKeyUHFHMCKZKKYPAI-UHFFFAOYSA-N
XLogP2.29
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methylbutyl)acetamide (CID 53189388) is 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methylbutyl)acetamide is CNc1nccc(N2CCC(CC(=O)NCCC(C)C)CC2)n1.
What is the InChIKey of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is UHFHMCKZKKYPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-13(2)4-8-19-16(23)12-14-6-10-22(11-7-14)15-5-9-20-17(18-3)21-15/h5,9,13-14H,4,6-8,10-12H2,1-3H3,(H,19,23)(H,18,20,21).
What are the key properties of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methylbutyl)acetamide?
2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 319.45 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 53189388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).