4-N-[(2-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine

C15H20N4 — CID 80967447

IUPAC4-N-[(2-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1ccccc1CNc1cc(N)nc(C(C)C)n1
InChIInChI=1S/C15H20N4/c1-10(2)15-18-13(16)8-14(19-15)17-9-12-7-5-4-6-11(12)3/h4-8,10H,9H2,1-3H3,(H3,16,17,18,19)
InChIKeyGGDDNLIAXMDDMZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.10
Rot. Bonds4

About 4-N-[(2-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine

4-N-[(2-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80967447) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-N-[(2-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80967447
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-N-[(2-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1ccccc1CNc1cc(N)nc(C(C)C)n1
InChIInChI=1S/C15H20N4/c1-10(2)15-18-13(16)8-14(19-15)17-9-12-7-5-4-6-11(12)3/h4-8,10H,9H2,1-3H3,(H3,16,17,18,19)
InChIKeyGGDDNLIAXMDDMZ-UHFFFAOYSA-N
XLogP3.10
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydrazinyl-2-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80898136
4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957195
4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960564
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 80955755
6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 114702346
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 80966926
6-N-ethyl-2-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80790221
6-N-ethyl-4-N-[(4-methyl-3-pyridinyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 114957968
4-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957408
4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957442
6-hydrazinyl-N-[(2-methylphenyl)methyl]pyridin-2-amine
CID 80899164
4-N-naphthalen-2-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967290

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (CID 80967447) is 4-N-[(2-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is Cc1ccccc1CNc1cc(N)nc(C(C)C)n1.
What is the InChIKey of 4-N-[(2-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is GGDDNLIAXMDDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-10(2)15-18-13(16)8-14(19-15)17-9-12-7-5-4-6-11(12)3/h4-8,10H,9H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 4-N-[(2-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-[(2-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80967447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).