5-(3-methylbutan-2-yl)pyrimidine-2,4-diamine

C9H16N4 — CID 163646531

IUPAC5-(3-methylbutan-2-yl)pyrimidine-2,4-diamine
SMILESCC(C)C(C)c1cnc(N)nc1N
InChIInChI=1S/C9H16N4/c1-5(2)6(3)7-4-12-9(11)13-8(7)10/h4-6H,1-3H3,(H4,10,11,12,13)
InChIKeyIIRMQLISXXETOS-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.40
Rot. Bonds2

About 5-(3-methylbutan-2-yl)pyrimidine-2,4-diamine

5-(3-methylbutan-2-yl)pyrimidine-2,4-diamine (PubChem CID 163646531) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-(3-methylbutan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3-methylbutan-2-yl)pyrimidine-2,4-diamine
PubChem CID163646531
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name5-(3-methylbutan-2-yl)pyrimidine-2,4-diamine
SMILESCC(C)C(C)c1cnc(N)nc1N
InChIInChI=1S/C9H16N4/c1-5(2)6(3)7-4-12-9(11)13-8(7)10/h4-6H,1-3H3,(H4,10,11,12,13)
InChIKeyIIRMQLISXXETOS-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(3-methylbutan-2-yl)pyrimidine-2,4-diamine (CID 163646531) is 5-(3-methylbutan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3-methylbutan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(3-methylbutan-2-yl)pyrimidine-2,4-diamine is CC(C)C(C)c1cnc(N)nc1N.
What is the InChIKey of 5-(3-methylbutan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is IIRMQLISXXETOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-5(2)6(3)7-4-12-9(11)13-8(7)10/h4-6H,1-3H3,(H4,10,11,12,13).
What are the key properties of 5-(3-methylbutan-2-yl)pyrimidine-2,4-diamine?
5-(3-methylbutan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 180.25 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 163646531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).