2-tert-butyl-5-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-4,6-diamine

C16H30N4O — CID 80984364

IUPAC2-tert-butyl-5-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)(C)C)nc1NCCOCCC(C)C
InChIInChI=1S/C16H30N4O/c1-11(2)7-9-21-10-8-18-14-12(3)13(17)19-15(20-14)16(4,5)6/h11H,7-10H2,1-6H3,(H3,17,18,19,20)
InChIKeyRQAJVPHEFMQYIH-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.14
Rot. Bonds7

About 2-tert-butyl-5-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-4,6-diamine

2-tert-butyl-5-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-4,6-diamine (PubChem CID 80984364) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-4,6-diamine
PubChem CID80984364
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-tert-butyl-5-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)(C)C)nc1NCCOCCC(C)C
InChIInChI=1S/C16H30N4O/c1-11(2)7-9-21-10-8-18-14-12(3)13(17)19-15(20-14)16(4,5)6/h11H,7-10H2,1-6H3,(H3,17,18,19,20)
InChIKeyRQAJVPHEFMQYIH-UHFFFAOYSA-N
XLogP3.14
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-5-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-4,6-diamine 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

5-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138122
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981481
1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol
CID 80993136
2-tert-butyl-6-hydrazinyl-5-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 81001260
2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]ethanol
CID 81006283
2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80982199
2-[2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol
CID 80985152
2-tert-butyl-5-methyl-6-(4-methylpentoxy)pyrimidin-4-amine
CID 80988672
4-N-(2-ethoxyethyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80994078
4-N-[2-(2-methoxyethoxy)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80813103
3-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80982844
2-tert-butyl-4-N-(cyclobutylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80994208

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-5-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-4,6-diamine (CID 80984364) is 2-tert-butyl-5-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-5-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-5-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-4,6-diamine is Cc1c(N)nc(C(C)(C)C)nc1NCCOCCC(C)C.
What is the InChIKey of 2-tert-butyl-5-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-4,6-diamine?
The InChIKey is RQAJVPHEFMQYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-11(2)7-9-21-10-8-18-14-12(3)13(17)19-15(20-14)16(4,5)6/h11H,7-10H2,1-6H3,(H3,17,18,19,20).
What are the key properties of 2-tert-butyl-5-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-4,6-diamine?
2-tert-butyl-5-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-4,6-diamine has a molecular weight of 294.44 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80984364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).