5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine

C10H18N4 — CID 80768940

IUPAC5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine
SMILESCCC(C)(C)Nc1nc(N)ncc1C
InChIInChI=1S/C10H18N4/c1-5-10(3,4)14-8-7(2)6-12-9(11)13-8/h6H,5H2,1-4H3,(H3,11,12,13,14)
InChIKeyHYZYTTKEGSNQGG-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.97
Rot. Bonds3

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

5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine (PubChem CID 80768940) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine
PubChem CID80768940
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine
SMILESCCC(C)(C)Nc1nc(N)ncc1C
InChIInChI=1S/C10H18N4/c1-5-10(3,4)14-8-7(2)6-12-9(11)13-8/h6H,5H2,1-4H3,(H3,11,12,13,14)
InChIKeyHYZYTTKEGSNQGG-UHFFFAOYSA-N
XLogP1.97
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine (CID 80768940) is 5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine is CCC(C)(C)Nc1nc(N)ncc1C.
What is the InChIKey of 5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is HYZYTTKEGSNQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-5-10(3,4)14-8-7(2)6-12-9(11)13-8/h6H,5H2,1-4H3,(H3,11,12,13,14).
What are the key properties of 5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine?
5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.97, 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-methylbutan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80768940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).