2-cyclopropyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine

C15H18N4O — CID 80961915

IUPAC2-cyclopropyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
SMILESNc1cc(NCCOc2ccccc2)nc(C2CC2)n1
InChIInChI=1S/C15H18N4O/c16-13-10-14(19-15(18-13)11-6-7-11)17-8-9-20-12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H3,16,17,18,19)
InChIKeyUIBFQXXXQATYJF-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.43
Rot. Bonds6

About 2-cyclopropyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine

2-cyclopropyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine (PubChem CID 80961915) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
PubChem CID80961915
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-cyclopropyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
SMILESNc1cc(NCCOc2ccccc2)nc(C2CC2)n1
InChIInChI=1S/C15H18N4O/c16-13-10-14(19-15(18-13)11-6-7-11)17-8-9-20-12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H3,16,17,18,19)
InChIKeyUIBFQXXXQATYJF-UHFFFAOYSA-N
XLogP2.43
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
2-cyclopropyl-4-N-(4-methoxybutyl)pyrimidine-4,6-diamine
CID 80957499
2-cyclopropyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
CID 104592592
2-cyclopropyl-4-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80960549
2-cyclopropyl-6-phenoxypyrimidin-4-amine
CID 80965794
N-[2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80967424
2-cyclopropyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 114185577
2-cyclopropyl-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 121206040
2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80968050
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 114176051
2-cyclopropyl-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine
CID 113495358
6-hydrazinyl-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 80901369

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine (CID 80961915) is 2-cyclopropyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine is Nc1cc(NCCOc2ccccc2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine?
The InChIKey is UIBFQXXXQATYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-13-10-14(19-15(18-13)11-6-7-11)17-8-9-20-12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H3,16,17,18,19).
What are the key properties of 2-cyclopropyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine has a molecular weight of 270.34 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80961915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).