4-N-tert-butyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine

C16H22N4 — CID 112859062

IUPAC4-N-tert-butyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCc1cccc(CNc2cc(NC(C)(C)C)ncn2)c1
InChIInChI=1S/C16H22N4/c1-12-6-5-7-13(8-12)10-17-14-9-15(19-11-18-14)20-16(2,3)4/h5-9,11H,10H2,1-4H3,(H2,17,18,19,20)
InChIKeyIRKKAIWCZSUVJE-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.61
Rot. Bonds4

About 4-N-tert-butyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine

4-N-tert-butyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 112859062) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-tert-butyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
PubChem CID112859062
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-tert-butyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCc1cccc(CNc2cc(NC(C)(C)C)ncn2)c1
InChIInChI=1S/C16H22N4/c1-12-6-5-7-13(8-12)10-17-14-9-15(19-11-18-14)20-16(2,3)4/h5-9,11H,10H2,1-4H3,(H2,17,18,19,20)
InChIKeyIRKKAIWCZSUVJE-UHFFFAOYSA-N
XLogP3.61
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791044
6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791292
6-N-[(3-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265810
6-N-[(3-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112859074
6-N-[2-(dimethylamino)ethyl]-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112857378
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859045
4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858549
4-N-cycloheptyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859063
2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871781
2-N-tert-butyl-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916103
6-N-[(3-methylphenyl)methyl]-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112859143
6-N-[(3-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112859132

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-tert-butyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine (CID 112859062) is 4-N-tert-butyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-tert-butyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-tert-butyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine is Cc1cccc(CNc2cc(NC(C)(C)C)ncn2)c1.
What is the InChIKey of 4-N-tert-butyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is IRKKAIWCZSUVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12-6-5-7-13(8-12)10-17-14-9-15(19-11-18-14)20-16(2,3)4/h5-9,11H,10H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-tert-butyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
4-N-tert-butyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112859062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).