6-methyl-5-(2-methylpropyl)pyrimidine-2,4-diamine

C9H16N4 — CID 23423603

IUPAC6-methyl-5-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1CC(C)C
InChIInChI=1S/C9H16N4/c1-5(2)4-7-6(3)12-9(11)13-8(7)10/h5H,4H2,1-3H3,(H4,10,11,12,13)
InChIKeyWNQWOWCEDDIAEP-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.15
Rot. Bonds2

About 6-methyl-5-(2-methylpropyl)pyrimidine-2,4-diamine

6-methyl-5-(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 23423603) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 6-methyl-5-(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-5-(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID23423603
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name6-methyl-5-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1CC(C)C
InChIInChI=1S/C9H16N4/c1-5(2)4-7-6(3)12-9(11)13-8(7)10/h5H,4H2,1-3H3,(H4,10,11,12,13)
InChIKeyWNQWOWCEDDIAEP-UHFFFAOYSA-N
XLogP1.15
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-5-(2-methylpropyl)pyrimidine-2,4-diamine (CID 23423603) is 6-methyl-5-(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-5-(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-5-(2-methylpropyl)pyrimidine-2,4-diamine is Cc1nc(N)nc(N)c1CC(C)C.
What is the InChIKey of 6-methyl-5-(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is WNQWOWCEDDIAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-5(2)4-7-6(3)12-9(11)13-8(7)10/h5H,4H2,1-3H3,(H4,10,11,12,13).
What are the key properties of 6-methyl-5-(2-methylpropyl)pyrimidine-2,4-diamine?
6-methyl-5-(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 180.25 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 23423603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).