6-methyl-4-N-(5-methylhexan-2-yl)-2-N-propylpyrimidine-2,4-diamine

C15H28N4 — CID 80839957

IUPAC6-methyl-4-N-(5-methylhexan-2-yl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NC(C)CCC(C)C)n1
InChIInChI=1S/C15H28N4/c1-6-9-16-15-18-13(5)10-14(19-15)17-12(4)8-7-11(2)3/h10-12H,6-9H2,1-5H3,(H2,16,17,18,19)
InChIKeyFYJODAUTBAZLPT-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.84
Rot. Bonds8

About 6-methyl-4-N-(5-methylhexan-2-yl)-2-N-propylpyrimidine-2,4-diamine

6-methyl-4-N-(5-methylhexan-2-yl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80839957) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 6-methyl-4-N-(5-methylhexan-2-yl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(5-methylhexan-2-yl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80839957
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name6-methyl-4-N-(5-methylhexan-2-yl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NC(C)CCC(C)C)n1
InChIInChI=1S/C15H28N4/c1-6-9-16-15-18-13(5)10-14(19-15)17-12(4)8-7-11(2)3/h10-12H,6-9H2,1-5H3,(H2,16,17,18,19)
InChIKeyFYJODAUTBAZLPT-UHFFFAOYSA-N
XLogP3.84
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-N-octan-2-yl-2-N-propylpyrimidine-2,4-diamine
CID 80800524
4-N-(1-methoxypropan-2-yl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80785414
2-N,6-dimethyl-4-N-pentan-2-ylpyrimidine-2,4-diamine
CID 80770422
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80800452
2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 80842663
4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine
CID 107765913
3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180781
4-N-tert-butyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112924628
3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 114565668
4-N-(2-ethoxypropyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 113478373
4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80796012
6-methyl-4-N-(3-methylbutyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907298

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(5-methylhexan-2-yl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(5-methylhexan-2-yl)-2-N-propylpyrimidine-2,4-diamine (CID 80839957) is 6-methyl-4-N-(5-methylhexan-2-yl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(5-methylhexan-2-yl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(5-methylhexan-2-yl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(NC(C)CCC(C)C)n1.
What is the InChIKey of 6-methyl-4-N-(5-methylhexan-2-yl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is FYJODAUTBAZLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-9-16-15-18-13(5)10-14(19-15)17-12(4)8-7-11(2)3/h10-12H,6-9H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 6-methyl-4-N-(5-methylhexan-2-yl)-2-N-propylpyrimidine-2,4-diamine?
6-methyl-4-N-(5-methylhexan-2-yl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(5-methylhexan-2-yl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80839957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).