2-N-[2-(3-chlorophenyl)ethyl]-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine

C19H27ClN4 — CID 112926269

IUPAC2-N-[2-(3-chlorophenyl)ethyl]-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1cc(C)nc(NCCc2cccc(Cl)c2)n1
InChIInChI=1S/C19H27ClN4/c1-4-11-24(12-5-2)18-13-15(3)22-19(23-18)21-10-9-16-7-6-8-17(20)14-16/h6-8,13-14H,4-5,9-12H2,1-3H3,(H,21,22,23)
InChIKeyRICCPDBMNVDJIQ-UHFFFAOYSA-N
MW346.91 g/mol
LogP4.72
Rot. Bonds9

About 2-N-[2-(3-chlorophenyl)ethyl]-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine

2-N-[2-(3-chlorophenyl)ethyl]-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine (PubChem CID 112926269) has the molecular formula C19H27ClN4 and a molecular weight of 346.91 g/mol. Its IUPAC name is 2-N-[2-(3-chlorophenyl)ethyl]-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(3-chlorophenyl)ethyl]-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
PubChem CID112926269
Molecular FormulaC19H27ClN4
Molecular Weight346.91 g/mol
Exact Mass346.19
IUPAC Name2-N-[2-(3-chlorophenyl)ethyl]-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1cc(C)nc(NCCc2cccc(Cl)c2)n1
InChIInChI=1S/C19H27ClN4/c1-4-11-24(12-5-2)18-13-15(3)22-19(23-18)21-10-9-16-7-6-8-17(20)14-16/h6-8,13-14H,4-5,9-12H2,1-3H3,(H,21,22,23)
InChIKeyRICCPDBMNVDJIQ-UHFFFAOYSA-N
XLogP4.72
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.91
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 78845412
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 112913490
4,6-dimethyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-2-amine
CID 62313023
4-N-butyl-2-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 112900564
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112926552
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911945
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917787
2-N-(3-chlorophenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924119
2-N-tert-butyl-4-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112924756
N-[2-(3-chlorophenyl)ethyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325463
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917241
4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921378

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3-chlorophenyl)ethyl]-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(3-chlorophenyl)ethyl]-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine (CID 112926269) is 2-N-[2-(3-chlorophenyl)ethyl]-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(3-chlorophenyl)ethyl]-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(3-chlorophenyl)ethyl]-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine is CCCN(CCC)c1cc(C)nc(NCCc2cccc(Cl)c2)n1.
What is the InChIKey of 2-N-[2-(3-chlorophenyl)ethyl]-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The InChIKey is RICCPDBMNVDJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4/c1-4-11-24(12-5-2)18-13-15(3)22-19(23-18)21-10-9-16-7-6-8-17(20)14-16/h6-8,13-14H,4-5,9-12H2,1-3H3,(H,21,22,23).
What are the key properties of 2-N-[2-(3-chlorophenyl)ethyl]-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine?
2-N-[2-(3-chlorophenyl)ethyl]-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine has a molecular weight of 346.91 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3-chlorophenyl)ethyl]-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine is sourced from PubChem (CID 112926269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).