[1-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone

C24H26N4O2 — CID 45245706

IUPAC[1-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
SMILESCC(C)c1cc(C(=O)N2CCCC(C(=O)c3ccc4ccccc4c3)C2)nc(N)n1
InChIInChI=1S/C24H26N4O2/c1-15(2)20-13-21(27-24(25)26-20)23(30)28-11-5-8-19(14-28)22(29)18-10-9-16-6-3-4-7-17(16)12-18/h3-4,6-7,9-10,12-13,15,19H,5,8,11,14H2,1-2H3,(H2,25,26,27)
InChIKeyQTOMKLAKQGRZLR-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.07
Rot. Bonds4

About [1-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone

[1-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone (PubChem CID 45245706) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is [1-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[1-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
PubChem CID45245706
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name[1-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
SMILESCC(C)c1cc(C(=O)N2CCCC(C(=O)c3ccc4ccccc4c3)C2)nc(N)n1
InChIInChI=1S/C24H26N4O2/c1-15(2)20-13-21(27-24(25)26-20)23(30)28-11-5-8-19(14-28)22(29)18-10-9-16-6-3-4-7-17(16)12-18/h3-4,6-7,9-10,12-13,15,19H,5,8,11,14H2,1-2H3,(H2,25,26,27)
InChIKeyQTOMKLAKQGRZLR-UHFFFAOYSA-N
XLogP4.07
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [1-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone (CID 45245706) is [1-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [1-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [1-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone is CC(C)c1cc(C(=O)N2CCCC(C(=O)c3ccc4ccccc4c3)C2)nc(N)n1.
What is the InChIKey of [1-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone?
The InChIKey is QTOMKLAKQGRZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-15(2)20-13-21(27-24(25)26-20)23(30)28-11-5-8-19(14-28)22(29)18-10-9-16-6-3-4-7-17(16)12-18/h3-4,6-7,9-10,12-13,15,19H,5,8,11,14H2,1-2H3,(H2,25,26,27).
What are the key properties of [1-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone?
[1-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone has a molecular weight of 402.50 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 45245706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).