2-[2-[[6-(3-aminocyclobutyl)-2-(dimethylamino)pyrimidin-4-yl]amino]ethylamino]-4-methyl-1H-pyrimidin-6-one

C17H26N8O — CID 136665366

IUPAC2-[2-[[6-(3-aminocyclobutyl)-2-(dimethylamino)pyrimidin-4-yl]amino]ethylamino]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NCCNc2cc(C3CC(N)C3)nc(N(C)C)n2)n1
InChIInChI=1S/C17H26N8O/c1-10-6-15(26)24-16(21-10)20-5-4-19-14-9-13(11-7-12(18)8-11)22-17(23-14)25(2)3/h6,9,11-12H,4-5,7-8,18H2,1-3H3,(H,19,22,23)(H2,20,21,24,26)
InChIKeyQFCWBURPPTYCJF-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.66
Rot. Bonds7

About 2-[2-[[6-(3-aminocyclobutyl)-2-(dimethylamino)pyrimidin-4-yl]amino]ethylamino]-4-methyl-1H-pyrimidin-6-one

2-[2-[[6-(3-aminocyclobutyl)-2-(dimethylamino)pyrimidin-4-yl]amino]ethylamino]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136665366) has the molecular formula C17H26N8O and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-[2-[[6-(3-aminocyclobutyl)-2-(dimethylamino)pyrimidin-4-yl]amino]ethylamino]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-[[6-(3-aminocyclobutyl)-2-(dimethylamino)pyrimidin-4-yl]amino]ethylamino]-4-methyl-1H-pyrimidin-6-one
PubChem CID136665366
Molecular FormulaC17H26N8O
Molecular Weight358.45 g/mol
Exact Mass358.22
IUPAC Name2-[2-[[6-(3-aminocyclobutyl)-2-(dimethylamino)pyrimidin-4-yl]amino]ethylamino]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NCCNc2cc(C3CC(N)C3)nc(N(C)C)n2)n1
InChIInChI=1S/C17H26N8O/c1-10-6-15(26)24-16(21-10)20-5-4-19-14-9-13(11-7-12(18)8-11)22-17(23-14)25(2)3/h6,9,11-12H,4-5,7-8,18H2,1-3H3,(H,19,22,23)(H2,20,21,24,26)
InChIKeyQFCWBURPPTYCJF-UHFFFAOYSA-N
XLogP0.66
TPSA124.85 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[[6-(3-aminocyclobutyl)-2-(dimethylamino)pyrimidin-4-yl]amino]ethylamino]-4-methyl-1H-pyrimidin-6-one 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 2-[2-[[6-(3-aminocyclobutyl)-2-(dimethylamino)pyrimidin-4-yl]amino]ethylamino]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-[[6-(3-aminocyclobutyl)-2-(dimethylamino)pyrimidin-4-yl]amino]ethylamino]-4-methyl-1H-pyrimidin-6-one (CID 136665366) is 2-[2-[[6-(3-aminocyclobutyl)-2-(dimethylamino)pyrimidin-4-yl]amino]ethylamino]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-[[6-(3-aminocyclobutyl)-2-(dimethylamino)pyrimidin-4-yl]amino]ethylamino]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-[[6-(3-aminocyclobutyl)-2-(dimethylamino)pyrimidin-4-yl]amino]ethylamino]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(NCCNc2cc(C3CC(N)C3)nc(N(C)C)n2)n1.
What is the InChIKey of 2-[2-[[6-(3-aminocyclobutyl)-2-(dimethylamino)pyrimidin-4-yl]amino]ethylamino]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is QFCWBURPPTYCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N8O/c1-10-6-15(26)24-16(21-10)20-5-4-19-14-9-13(11-7-12(18)8-11)22-17(23-14)25(2)3/h6,9,11-12H,4-5,7-8,18H2,1-3H3,(H,19,22,23)(H2,20,21,24,26).
What are the key properties of 2-[2-[[6-(3-aminocyclobutyl)-2-(dimethylamino)pyrimidin-4-yl]amino]ethylamino]-4-methyl-1H-pyrimidin-6-one?
2-[2-[[6-(3-aminocyclobutyl)-2-(dimethylamino)pyrimidin-4-yl]amino]ethylamino]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 358.45 g/mol, XLogP of 0.66, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[6-(3-aminocyclobutyl)-2-(dimethylamino)pyrimidin-4-yl]amino]ethylamino]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136665366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).