4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine

C17H23ClN4 — CID 112922602

IUPAC4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1nc(C)cc(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H23ClN4/c1-4-22(5-2)17-20-13(3)12-16(21-17)19-11-10-14-6-8-15(18)9-7-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,20,21)
InChIKeySMSLQUNBHYUWHB-UHFFFAOYSA-N
MW318.85 g/mol
LogP3.94
Rot. Bonds7

About 4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine

4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine (PubChem CID 112922602) has the molecular formula C17H23ClN4 and a molecular weight of 318.85 g/mol. Its IUPAC name is 4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
PubChem CID112922602
Molecular FormulaC17H23ClN4
Molecular Weight318.85 g/mol
Exact Mass318.16
IUPAC Name4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1nc(C)cc(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H23ClN4/c1-4-22(5-2)17-20-13(3)12-16(21-17)19-11-10-14-6-8-15(18)9-7-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,20,21)
InChIKeySMSLQUNBHYUWHB-UHFFFAOYSA-N
XLogP3.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[[2-(diethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922501
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112922529
4-N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80776690
4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112921302
2-N,2-N-diethyl-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916376
2-[2-(4-chlorophenyl)ethylamino]-6-methylpyridine-4-carbothioamide
CID 114767308
N-[2-(4-chlorophenyl)ethyl]-2-(1-iodoethoxy)-6-methylpyrimidin-4-amine
CID 143652236
4-N-(3-chloro-4-fluorophenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924247
2-N-(2-chlorophenyl)-4-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112922623
4-N-[2-(4-chlorophenyl)ethyl]-6-N,2-diethylpyrimidine-4,6-diamine
CID 80939872
4-N-(4-chlorophenyl)-2-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112922682
2-N-(4-chlorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920094

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine (CID 112922602) is 4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine is CCN(CC)c1nc(C)cc(NCCc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is SMSLQUNBHYUWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4/c1-4-22(5-2)17-20-13(3)12-16(21-17)19-11-10-14-6-8-15(18)9-7-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,20,21).
What are the key properties of 4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine?
4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 318.85 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112922602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).