6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine

C14H16ClN3 — CID 796090

IUPAC6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine
SMILESCCN(CC)c1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C14H16ClN3/c1-3-18(4-2)13-10-12(15)16-14(17-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKeyFCPGQHILDSVNSA-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.64
Rot. Bonds4

About 6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine

6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine (PubChem CID 796090) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine
PubChem CID796090
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine
SMILESCCN(CC)c1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C14H16ClN3/c1-3-18(4-2)13-10-12(15)16-14(17-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKeyFCPGQHILDSVNSA-UHFFFAOYSA-N
XLogP3.64
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-ethyl-N-methyl-2-phenylpyrimidin-4-amine
CID 112559630
N,N-diethyl-2,6-diphenylpyrimidin-4-amine
CID 2057498
N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 115914818
6-chloro-N,N-diethyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
CID 15766444
N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine
CID 115914819
4-N,4-N-diethyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879230
3-[(6-chloro-2-phenylpyrimidin-4-yl)-methylamino]butanenitrile
CID 115914801
4-N,4-N-diethyl-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine
CID 112879814
6-chloro-N-(cyclopropylmethyl)-2-phenyl-N-propan-2-ylpyrimidin-4-amine
CID 115914744
N,N-diethyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880527
6-N-[4-(dimethylamino)phenyl]-4-N,4-N-diethyl-2-phenylpyrimidine-4,6-diamine
CID 112881588
3-[(6-chloro-2-phenylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106917420

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine (CID 796090) is 6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine is CCN(CC)c1cc(Cl)nc(-c2ccccc2)n1.
What is the InChIKey of 6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine?
The InChIKey is FCPGQHILDSVNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-3-18(4-2)13-10-12(15)16-14(17-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3.
What are the key properties of 6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine?
6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine has a molecular weight of 261.76 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 796090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).