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

C15H20N4 — CID 80976348

IUPAC5-methyl-4-N-(2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1ccccc1Nc1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C15H20N4/c1-9(2)14-18-13(16)11(4)15(19-14)17-12-8-6-5-7-10(12)3/h5-9H,1-4H3,(H3,16,17,18,19)
InChIKeySPSKWVQRZOCPAO-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.54
Rot. Bonds3

About 5-methyl-4-N-(2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine

5-methyl-4-N-(2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80976348) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-methyl-4-N-(2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80976348
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name5-methyl-4-N-(2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1ccccc1Nc1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C15H20N4/c1-9(2)14-18-13(16)11(4)15(19-14)17-12-8-6-5-7-10(12)3/h5-9H,1-4H3,(H3,16,17,18,19)
InChIKeySPSKWVQRZOCPAO-UHFFFAOYSA-N
XLogP3.54
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107801932
4-N-(5-bromo-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80994250
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-6-fluorobenzonitrile
CID 80986631
4-N-(3,4-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80977168
4-N-benzyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980652
4-N-(2-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80754772
4-N-(2-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976899
5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 104592544
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]benzonitrile
CID 80981896
5-methyl-4-N-(1-methylpyrazol-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80992963
3-N-(2-methylphenyl)quinoxaline-2,3-diamine
CID 102985280
5-methyl-2-propan-2-yl-4-N-(2,4,6-trifluorophenyl)pyrimidine-4,6-diamine
CID 80992552

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N-(2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 80976348) is 5-methyl-4-N-(2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N-(2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N-(2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine is Cc1ccccc1Nc1nc(C(C)C)nc(N)c1C.
What is the InChIKey of 5-methyl-4-N-(2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is SPSKWVQRZOCPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-9(2)14-18-13(16)11(4)15(19-14)17-12-8-6-5-7-10(12)3/h5-9H,1-4H3,(H3,16,17,18,19).
What are the key properties of 5-methyl-4-N-(2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine?
5-methyl-4-N-(2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80976348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).