4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-4,5-diamine

C10H18N4O — CID 79918826

IUPAC4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-4,5-diamine
SMILESCOCC(Nc1ncncc1N)C(C)C
InChIInChI=1S/C10H18N4O/c1-7(2)9(5-15-3)14-10-8(11)4-12-6-13-10/h4,6-7,9H,5,11H2,1-3H3,(H,12,13,14)
InChIKeyXINYERWHVQIXKX-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.14
Rot. Bonds5

About 4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-4,5-diamine

4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-4,5-diamine (PubChem CID 79918826) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-4,5-diamine
PubChem CID79918826
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-4,5-diamine
SMILESCOCC(Nc1ncncc1N)C(C)C
InChIInChI=1S/C10H18N4O/c1-7(2)9(5-15-3)14-10-8(11)4-12-6-13-10/h4,6-7,9H,5,11H2,1-3H3,(H,12,13,14)
InChIKeyXINYERWHVQIXKX-UHFFFAOYSA-N
XLogP1.14
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-4,5-diamine (CID 79918826) is 4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-4,5-diamine is COCC(Nc1ncncc1N)C(C)C.
What is the InChIKey of 4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-4,5-diamine?
The InChIKey is XINYERWHVQIXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(2)9(5-15-3)14-10-8(11)4-12-6-13-10/h4,6-7,9H,5,11H2,1-3H3,(H,12,13,14).
What are the key properties of 4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-4,5-diamine?
4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-4,5-diamine has a molecular weight of 210.28 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 79918826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).