4-N,2-dicyclopropyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine

C14H22N4O — CID 82456288

IUPAC4-N,2-dicyclopropyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
SMILESCC(C)COc1nc(C2CC2)nc(NC2CC2)c1N
InChIInChI=1S/C14H22N4O/c1-8(2)7-19-14-11(15)13(16-10-5-6-10)17-12(18-14)9-3-4-9/h8-10H,3-7,15H2,1-2H3,(H,16,17,18)
InChIKeyFGKFAYPBZGIXSZ-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.55
Rot. Bonds6

About 4-N,2-dicyclopropyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine

4-N,2-dicyclopropyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine (PubChem CID 82456288) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-N,2-dicyclopropyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N,2-dicyclopropyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
PubChem CID82456288
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-N,2-dicyclopropyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
SMILESCC(C)COc1nc(C2CC2)nc(NC2CC2)c1N
InChIInChI=1S/C14H22N4O/c1-8(2)7-19-14-11(15)13(16-10-5-6-10)17-12(18-14)9-3-4-9/h8-10H,3-7,15H2,1-2H3,(H,16,17,18)
InChIKeyFGKFAYPBZGIXSZ-UHFFFAOYSA-N
XLogP2.55
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,2-dicyclopropyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The IUPAC name of 4-N,2-dicyclopropyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine (CID 82456288) is 4-N,2-dicyclopropyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N,2-dicyclopropyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N,2-dicyclopropyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine is CC(C)COc1nc(C2CC2)nc(NC2CC2)c1N.
What is the InChIKey of 4-N,2-dicyclopropyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The InChIKey is FGKFAYPBZGIXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-8(2)7-19-14-11(15)13(16-10-5-6-10)17-12(18-14)9-3-4-9/h8-10H,3-7,15H2,1-2H3,(H,16,17,18).
What are the key properties of 4-N,2-dicyclopropyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
4-N,2-dicyclopropyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine has a molecular weight of 262.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,2-dicyclopropyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine is sourced from PubChem (CID 82456288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).