2-N-(1-methoxypropan-2-yl)pyrimidine-2,5-diamine

C8H14N4O — CID 61147534

IUPAC2-N-(1-methoxypropan-2-yl)pyrimidine-2,5-diamine
SMILESCOCC(C)Nc1ncc(N)cn1
InChIInChI=1S/C8H14N4O/c1-6(5-13-2)12-8-10-3-7(9)4-11-8/h3-4,6H,5,9H2,1-2H3,(H,10,11,12)
InChIKeyVXYHEEKYQSSUEH-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.51
Rot. Bonds4

About 2-N-(1-methoxypropan-2-yl)pyrimidine-2,5-diamine

2-N-(1-methoxypropan-2-yl)pyrimidine-2,5-diamine (PubChem CID 61147534) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-N-(1-methoxypropan-2-yl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-(1-methoxypropan-2-yl)pyrimidine-2,5-diamine
PubChem CID61147534
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-N-(1-methoxypropan-2-yl)pyrimidine-2,5-diamine
SMILESCOCC(C)Nc1ncc(N)cn1
InChIInChI=1S/C8H14N4O/c1-6(5-13-2)12-8-10-3-7(9)4-11-8/h3-4,6H,5,9H2,1-2H3,(H,10,11,12)
InChIKeyVXYHEEKYQSSUEH-UHFFFAOYSA-N
XLogP0.51
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methoxypropan-2-yl)pyrimidine-2,5-diamine?
The IUPAC name of 2-N-(1-methoxypropan-2-yl)pyrimidine-2,5-diamine (CID 61147534) is 2-N-(1-methoxypropan-2-yl)pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-(1-methoxypropan-2-yl)pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-(1-methoxypropan-2-yl)pyrimidine-2,5-diamine is COCC(C)Nc1ncc(N)cn1.
What is the InChIKey of 2-N-(1-methoxypropan-2-yl)pyrimidine-2,5-diamine?
The InChIKey is VXYHEEKYQSSUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-6(5-13-2)12-8-10-3-7(9)4-11-8/h3-4,6H,5,9H2,1-2H3,(H,10,11,12).
What are the key properties of 2-N-(1-methoxypropan-2-yl)pyrimidine-2,5-diamine?
2-N-(1-methoxypropan-2-yl)pyrimidine-2,5-diamine has a molecular weight of 182.23 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methoxypropan-2-yl)pyrimidine-2,5-diamine is sourced from PubChem (CID 61147534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).