2-[[(2R)-2-methoxy-3,3-dimethylbutyl]amino]-6-methylpyrimidine-4-carbonitrile

C13H20N4O — CID 164639563

IUPAC2-[[(2R)-2-methoxy-3,3-dimethylbutyl]amino]-6-methylpyrimidine-4-carbonitrile
SMILESCO[C@@H](CNc1nc(C)cc(C#N)n1)C(C)(C)C
InChIInChI=1S/C13H20N4O/c1-9-6-10(7-14)17-12(16-9)15-8-11(18-5)13(2,3)4/h6,11H,8H2,1-5H3,(H,15,16,17)/t11-/m0/s1
InChIKeyBPMGURNXSHKIRH-NSHDSACASA-N
MW248.33 g/mol
LogP2.13
Rot. Bonds4

About 2-[[(2R)-2-methoxy-3,3-dimethylbutyl]amino]-6-methylpyrimidine-4-carbonitrile

2-[[(2R)-2-methoxy-3,3-dimethylbutyl]amino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 164639563) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[[(2R)-2-methoxy-3,3-dimethylbutyl]amino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[[(2R)-2-methoxy-3,3-dimethylbutyl]amino]-6-methylpyrimidine-4-carbonitrile
PubChem CID164639563
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-[[(2R)-2-methoxy-3,3-dimethylbutyl]amino]-6-methylpyrimidine-4-carbonitrile
SMILESCO[C@@H](CNc1nc(C)cc(C#N)n1)C(C)(C)C
InChIInChI=1S/C13H20N4O/c1-9-6-10(7-14)17-12(16-9)15-8-11(18-5)13(2,3)4/h6,11H,8H2,1-5H3,(H,15,16,17)/t11-/m0/s1
InChIKeyBPMGURNXSHKIRH-NSHDSACASA-N
XLogP2.13
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(2R)-2-methoxy-3,3-dimethylbutyl]amino]-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-[[(2R)-2-methoxy-3,3-dimethylbutyl]amino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[[(2R)-2-methoxy-3,3-dimethylbutyl]amino]-6-methylpyrimidine-4-carbonitrile (CID 164639563) is 2-[[(2R)-2-methoxy-3,3-dimethylbutyl]amino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[[(2R)-2-methoxy-3,3-dimethylbutyl]amino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[[(2R)-2-methoxy-3,3-dimethylbutyl]amino]-6-methylpyrimidine-4-carbonitrile is CO[C@@H](CNc1nc(C)cc(C#N)n1)C(C)(C)C.
What is the InChIKey of 2-[[(2R)-2-methoxy-3,3-dimethylbutyl]amino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is BPMGURNXSHKIRH-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-6-10(7-14)17-12(16-9)15-8-11(18-5)13(2,3)4/h6,11H,8H2,1-5H3,(H,15,16,17)/t11-/m0/s1.
What are the key properties of 2-[[(2R)-2-methoxy-3,3-dimethylbutyl]amino]-6-methylpyrimidine-4-carbonitrile?
2-[[(2R)-2-methoxy-3,3-dimethylbutyl]amino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 248.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-methoxy-3,3-dimethylbutyl]amino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 164639563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).