2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine

C15H20N4O — CID 133331625

IUPAC2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ccnc(C(C)(C)C)n2)cn1
InChIInChI=1S/C15H20N4O/c1-15(2,3)14-16-8-7-12(19-14)17-9-11-5-6-13(20-4)18-10-11/h5-8,10H,9H2,1-4H3,(H,16,17,19)
InChIKeyUTQSCQWNBKQKCQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.79
Rot. Bonds4

About 2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine

2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine (PubChem CID 133331625) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine
PubChem CID133331625
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ccnc(C(C)(C)C)n2)cn1
InChIInChI=1S/C15H20N4O/c1-15(2,3)14-16-8-7-12(19-14)17-9-11-5-6-13(20-4)18-10-11/h5-8,10H,9H2,1-4H3,(H,16,17,19)
InChIKeyUTQSCQWNBKQKCQ-UHFFFAOYSA-N
XLogP2.79
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80831883
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
2-tert-butyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 133351061
N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 60710836
ethane;N-[(6-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyridin-2-amine
CID 143898459
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine
CID 62996638
4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936268
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine
CID 62989531
2-[(6-methoxy-3-pyridinyl)methylamino]-2-methylpropan-1-ol
CID 114936372
6-N-[(6-methoxy-3-pyridinyl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122282197
N-[(6-methoxy-3-pyridinyl)methyl]-4-nitropyridin-2-amine
CID 62490095

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine (CID 133331625) is 2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine is COc1ccc(CNc2ccnc(C(C)(C)C)n2)cn1.
What is the InChIKey of 2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine?
The InChIKey is UTQSCQWNBKQKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(2,3)14-16-8-7-12(19-14)17-9-11-5-6-13(20-4)18-10-11/h5-8,10H,9H2,1-4H3,(H,16,17,19).
What are the key properties of 2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine?
2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine has a molecular weight of 272.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 133331625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).