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

C15H25N5O — CID 75447744

IUPACN-[(4-aminopyrimidin-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide
SMILESCC(C)C(C(=O)NCc1nccc(N)n1)N1CCCCC1
InChIInChI=1S/C15H25N5O/c1-11(2)14(20-8-4-3-5-9-20)15(21)18-10-13-17-7-6-12(16)19-13/h6-7,11,14H,3-5,8-10H2,1-2H3,(H,18,21)(H2,16,17,19)
InChIKeyPMDLOCHQBRUEPJ-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.19
Rot. Bonds5

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

N-[(4-aminopyrimidin-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide (PubChem CID 75447744) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[(4-aminopyrimidin-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[(4-aminopyrimidin-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide
PubChem CID75447744
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-[(4-aminopyrimidin-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide
SMILESCC(C)C(C(=O)NCc1nccc(N)n1)N1CCCCC1
InChIInChI=1S/C15H25N5O/c1-11(2)14(20-8-4-3-5-9-20)15(21)18-10-13-17-7-6-12(16)19-13/h6-7,11,14H,3-5,8-10H2,1-2H3,(H,18,21)(H2,16,17,19)
InChIKeyPMDLOCHQBRUEPJ-UHFFFAOYSA-N
XLogP1.19
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminopyrimidin-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide?
The IUPAC name of N-[(4-aminopyrimidin-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide (CID 75447744) is N-[(4-aminopyrimidin-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[(4-aminopyrimidin-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide?
The canonical SMILES for N-[(4-aminopyrimidin-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide is CC(C)C(C(=O)NCc1nccc(N)n1)N1CCCCC1.
What is the InChIKey of N-[(4-aminopyrimidin-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide?
The InChIKey is PMDLOCHQBRUEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-11(2)14(20-8-4-3-5-9-20)15(21)18-10-13-17-7-6-12(16)19-13/h6-7,11,14H,3-5,8-10H2,1-2H3,(H,18,21)(H2,16,17,19).
What are the key properties of N-[(4-aminopyrimidin-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide?
N-[(4-aminopyrimidin-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide has a molecular weight of 291.40 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminopyrimidin-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide is sourced from PubChem (CID 75447744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).