2-[(1-aminocyclobutyl)methylamino]-6-methylpyrimidine-4-carbonitrile

C11H15N5 — CID 107552758

IUPAC2-[(1-aminocyclobutyl)methylamino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NCC2(N)CCC2)n1
InChIInChI=1S/C11H15N5/c1-8-5-9(6-12)16-10(15-8)14-7-11(13)3-2-4-11/h5H,2-4,7,13H2,1H3,(H,14,15,16)
InChIKeyGBSRBCNFHFXNBT-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.95
Rot. Bonds3

About 2-[(1-aminocyclobutyl)methylamino]-6-methylpyrimidine-4-carbonitrile

2-[(1-aminocyclobutyl)methylamino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107552758) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-[(1-aminocyclobutyl)methylamino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(1-aminocyclobutyl)methylamino]-6-methylpyrimidine-4-carbonitrile
PubChem CID107552758
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name2-[(1-aminocyclobutyl)methylamino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NCC2(N)CCC2)n1
InChIInChI=1S/C11H15N5/c1-8-5-9(6-12)16-10(15-8)14-7-11(13)3-2-4-11/h5H,2-4,7,13H2,1H3,(H,14,15,16)
InChIKeyGBSRBCNFHFXNBT-UHFFFAOYSA-N
XLogP0.95
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(1-aminocyclobutyl)methylamino]-6-methylpyrimidine-4-carbonitrile 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-[(1-aminocyclobutyl)methylamino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[(1-aminocyclobutyl)methylamino]-6-methylpyrimidine-4-carbonitrile (CID 107552758) is 2-[(1-aminocyclobutyl)methylamino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(1-aminocyclobutyl)methylamino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(1-aminocyclobutyl)methylamino]-6-methylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(NCC2(N)CCC2)n1.
What is the InChIKey of 2-[(1-aminocyclobutyl)methylamino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is GBSRBCNFHFXNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-8-5-9(6-12)16-10(15-8)14-7-11(13)3-2-4-11/h5H,2-4,7,13H2,1H3,(H,14,15,16).
What are the key properties of 2-[(1-aminocyclobutyl)methylamino]-6-methylpyrimidine-4-carbonitrile?
2-[(1-aminocyclobutyl)methylamino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 217.28 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclobutyl)methylamino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107552758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).