N,N-diethyl-6-phenylpyrimidin-4-amine;hydrochloride

C14H18ClN3 — CID 15945525

IUPACN,N-diethyl-6-phenylpyrimidin-4-amine;hydrochloride
SMILESCCN(CC)c1cc(-c2ccccc2)ncn1.Cl
InChIInChI=1S/C14H17N3.ClH/c1-3-17(4-2)14-10-13(15-11-16-14)12-8-6-5-7-9-12;/h5-11H,3-4H2,1-2H3;1H
InChIKeyOREWQYIOPWEOET-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.41
Rot. Bonds4

About N,N-diethyl-6-phenylpyrimidin-4-amine;hydrochloride

N,N-diethyl-6-phenylpyrimidin-4-amine;hydrochloride (PubChem CID 15945525) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is N,N-diethyl-6-phenylpyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-6-phenylpyrimidin-4-amine;hydrochloride
PubChem CID15945525
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC NameN,N-diethyl-6-phenylpyrimidin-4-amine;hydrochloride
SMILESCCN(CC)c1cc(-c2ccccc2)ncn1.Cl
InChIInChI=1S/C14H17N3.ClH/c1-3-17(4-2)14-10-13(15-11-16-14)12-8-6-5-7-9-12;/h5-11H,3-4H2,1-2H3;1H
InChIKeyOREWQYIOPWEOET-UHFFFAOYSA-N
XLogP3.41
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-phenylpyrimidin-4-amine;hydrochloride?
The IUPAC name of N,N-diethyl-6-phenylpyrimidin-4-amine;hydrochloride (CID 15945525) is N,N-diethyl-6-phenylpyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N,N-diethyl-6-phenylpyrimidin-4-amine;hydrochloride?
The canonical SMILES for N,N-diethyl-6-phenylpyrimidin-4-amine;hydrochloride is CCN(CC)c1cc(-c2ccccc2)ncn1.Cl.
What is the InChIKey of N,N-diethyl-6-phenylpyrimidin-4-amine;hydrochloride?
The InChIKey is OREWQYIOPWEOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3.ClH/c1-3-17(4-2)14-10-13(15-11-16-14)12-8-6-5-7-9-12;/h5-11H,3-4H2,1-2H3;1H.
What are the key properties of N,N-diethyl-6-phenylpyrimidin-4-amine;hydrochloride?
N,N-diethyl-6-phenylpyrimidin-4-amine;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-phenylpyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 15945525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).