6-methyl-4-N-(4-methylcyclohepta-1,3-dien-1-yl)pyrimidine-2,4-diamine

C13H18N4 — CID 142995172

IUPAC6-methyl-4-N-(4-methylcyclohepta-1,3-dien-1-yl)pyrimidine-2,4-diamine
SMILESCC1=CC=C(Nc2cc(C)nc(N)n2)CCC1
InChIInChI=1S/C13H18N4/c1-9-4-3-5-11(7-6-9)16-12-8-10(2)15-13(14)17-12/h6-8H,3-5H2,1-2H3,(H3,14,15,16,17)
InChIKeyRGKXXVAXQDKBNK-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.79
Rot. Bonds2

About 6-methyl-4-N-(4-methylcyclohepta-1,3-dien-1-yl)pyrimidine-2,4-diamine

6-methyl-4-N-(4-methylcyclohepta-1,3-dien-1-yl)pyrimidine-2,4-diamine (PubChem CID 142995172) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-methyl-4-N-(4-methylcyclohepta-1,3-dien-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(4-methylcyclohepta-1,3-dien-1-yl)pyrimidine-2,4-diamine
PubChem CID142995172
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name6-methyl-4-N-(4-methylcyclohepta-1,3-dien-1-yl)pyrimidine-2,4-diamine
SMILESCC1=CC=C(Nc2cc(C)nc(N)n2)CCC1
InChIInChI=1S/C13H18N4/c1-9-4-3-5-11(7-6-9)16-12-8-10(2)15-13(14)17-12/h6-8H,3-5H2,1-2H3,(H3,14,15,16,17)
InChIKeyRGKXXVAXQDKBNK-UHFFFAOYSA-N
XLogP2.79
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(4-methylcyclohepta-1,3-dien-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(4-methylcyclohepta-1,3-dien-1-yl)pyrimidine-2,4-diamine (CID 142995172) is 6-methyl-4-N-(4-methylcyclohepta-1,3-dien-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(4-methylcyclohepta-1,3-dien-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(4-methylcyclohepta-1,3-dien-1-yl)pyrimidine-2,4-diamine is CC1=CC=C(Nc2cc(C)nc(N)n2)CCC1.
What is the InChIKey of 6-methyl-4-N-(4-methylcyclohepta-1,3-dien-1-yl)pyrimidine-2,4-diamine?
The InChIKey is RGKXXVAXQDKBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9-4-3-5-11(7-6-9)16-12-8-10(2)15-13(14)17-12/h6-8H,3-5H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 6-methyl-4-N-(4-methylcyclohepta-1,3-dien-1-yl)pyrimidine-2,4-diamine?
6-methyl-4-N-(4-methylcyclohepta-1,3-dien-1-yl)pyrimidine-2,4-diamine has a molecular weight of 230.31 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(4-methylcyclohepta-1,3-dien-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 142995172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).