N,N-diethyl-6-phenoxypyrimidin-4-amine

C14H17N3O — CID 2055860

IUPACN,N-diethyl-6-phenoxypyrimidin-4-amine
SMILESCCN(CC)c1cc(Oc2ccccc2)ncn1
InChIInChI=1S/C14H17N3O/c1-3-17(4-2)13-10-14(16-11-15-13)18-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
InChIKeyALUKGYNTLYICDO-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.12
Rot. Bonds5

About N,N-diethyl-6-phenoxypyrimidin-4-amine

N,N-diethyl-6-phenoxypyrimidin-4-amine (PubChem CID 2055860) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N,N-diethyl-6-phenoxypyrimidin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-6-phenoxypyrimidin-4-amine
PubChem CID2055860
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN,N-diethyl-6-phenoxypyrimidin-4-amine
SMILESCCN(CC)c1cc(Oc2ccccc2)ncn1
InChIInChI=1S/C14H17N3O/c1-3-17(4-2)13-10-14(16-11-15-13)18-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
InChIKeyALUKGYNTLYICDO-UHFFFAOYSA-N
XLogP3.12
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-phenoxypyrimidin-4-amine?
The IUPAC name of N,N-diethyl-6-phenoxypyrimidin-4-amine (CID 2055860) is N,N-diethyl-6-phenoxypyrimidin-4-amine.
What is the SMILES notation for N,N-diethyl-6-phenoxypyrimidin-4-amine?
The canonical SMILES for N,N-diethyl-6-phenoxypyrimidin-4-amine is CCN(CC)c1cc(Oc2ccccc2)ncn1.
What is the InChIKey of N,N-diethyl-6-phenoxypyrimidin-4-amine?
The InChIKey is ALUKGYNTLYICDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-17(4-2)13-10-14(16-11-15-13)18-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-6-phenoxypyrimidin-4-amine?
N,N-diethyl-6-phenoxypyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-phenoxypyrimidin-4-amine is sourced from PubChem (CID 2055860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).