2-phenyl-6-prop-2-enoxy-N-propylpyrimidin-4-amine

C16H19N3O — CID 115915808

IUPAC2-phenyl-6-prop-2-enoxy-N-propylpyrimidin-4-amine
SMILESC=CCOc1cc(NCCC)nc(-c2ccccc2)n1
InChIInChI=1S/C16H19N3O/c1-3-10-17-14-12-15(20-11-4-2)19-16(18-14)13-8-6-5-7-9-13/h4-9,12H,2-3,10-11H2,1H3,(H,17,18,19)
InChIKeyICWXDAKQGNFYNB-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.53
Rot. Bonds7

About 2-phenyl-6-prop-2-enoxy-N-propylpyrimidin-4-amine

2-phenyl-6-prop-2-enoxy-N-propylpyrimidin-4-amine (PubChem CID 115915808) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-phenyl-6-prop-2-enoxy-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-phenyl-6-prop-2-enoxy-N-propylpyrimidin-4-amine
PubChem CID115915808
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-phenyl-6-prop-2-enoxy-N-propylpyrimidin-4-amine
SMILESC=CCOc1cc(NCCC)nc(-c2ccccc2)n1
InChIInChI=1S/C16H19N3O/c1-3-10-17-14-12-15(20-11-4-2)19-16(18-14)13-8-6-5-7-9-13/h4-9,12H,2-3,10-11H2,1H3,(H,17,18,19)
InChIKeyICWXDAKQGNFYNB-UHFFFAOYSA-N
XLogP3.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-phenyl-6-(propylamino)pyrimidin-4-yl]oxyethanol
CID 115915860
6-(2,2-difluoroethoxy)-2-phenyl-N-propylpyrimidin-4-amine
CID 115915961
N-ethyl-6-pentoxy-2-phenylpyrimidin-4-amine
CID 115915870
2-phenyl-6-prop-2-enoxypyrimidin-4-amine
CID 112559862
6-ethyl-2-phenyl-N-propylpyrimidin-4-amine
CID 62192699
4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879234
6-prop-2-enoxy-N-propylpyridin-2-amine
CID 80868454
4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879191
6-[(E)-but-2-enoxy]-N-methyl-2-phenylpyrimidin-4-amine
CID 112559905
4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879169
6-butoxy-N-methyl-2-phenylpyrimidin-4-amine
CID 112559898
4-N,4-N-diethyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879230

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-prop-2-enoxy-N-propylpyrimidin-4-amine?
The IUPAC name of 2-phenyl-6-prop-2-enoxy-N-propylpyrimidin-4-amine (CID 115915808) is 2-phenyl-6-prop-2-enoxy-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-phenyl-6-prop-2-enoxy-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-phenyl-6-prop-2-enoxy-N-propylpyrimidin-4-amine is C=CCOc1cc(NCCC)nc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-6-prop-2-enoxy-N-propylpyrimidin-4-amine?
The InChIKey is ICWXDAKQGNFYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-10-17-14-12-15(20-11-4-2)19-16(18-14)13-8-6-5-7-9-13/h4-9,12H,2-3,10-11H2,1H3,(H,17,18,19).
What are the key properties of 2-phenyl-6-prop-2-enoxy-N-propylpyrimidin-4-amine?
2-phenyl-6-prop-2-enoxy-N-propylpyrimidin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-prop-2-enoxy-N-propylpyrimidin-4-amine is sourced from PubChem (CID 115915808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).