2-N-tert-butyl-4-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine

C17H23ClN4 — CID 112924756

IUPAC2-N-tert-butyl-4-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCCc2cccc(Cl)c2)nc(NC(C)(C)C)n1
InChIInChI=1S/C17H23ClN4/c1-12-10-15(21-16(20-12)22-17(2,3)4)19-9-8-13-6-5-7-14(18)11-13/h5-7,10-11H,8-9H2,1-4H3,(H2,19,20,21,22)
InChIKeyNTJSHFIGUGAKJR-UHFFFAOYSA-N
MW318.85 g/mol
LogP4.30
Rot. Bonds5

About 2-N-tert-butyl-4-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine

2-N-tert-butyl-4-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 112924756) has the molecular formula C17H23ClN4 and a molecular weight of 318.85 g/mol. Its IUPAC name is 2-N-tert-butyl-4-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-4-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
PubChem CID112924756
Molecular FormulaC17H23ClN4
Molecular Weight318.85 g/mol
Exact Mass318.16
IUPAC Name2-N-tert-butyl-4-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCCc2cccc(Cl)c2)nc(NC(C)(C)C)n1
InChIInChI=1S/C17H23ClN4/c1-12-10-15(21-16(20-12)22-17(2,3)4)19-9-8-13-6-5-7-14(18)11-13/h5-7,10-11H,8-9H2,1-4H3,(H2,19,20,21,22)
InChIKeyNTJSHFIGUGAKJR-UHFFFAOYSA-N
XLogP4.30
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-chlorophenyl)-4-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112926476
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-N-[2-(3-chlorophenyl)ethyl]-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112926473
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911945
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112926472
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917787
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112926552
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917241
2-N-(3-chlorophenyl)-4-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920785
2-N-benzyl-4-N-[2-(3-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112917093
4-N-[(3-chlorophenyl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80833016

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-4-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-4-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine (CID 112924756) is 2-N-tert-butyl-4-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-4-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-4-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine is Cc1cc(NCCc2cccc(Cl)c2)nc(NC(C)(C)C)n1.
What is the InChIKey of 2-N-tert-butyl-4-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is NTJSHFIGUGAKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4/c1-12-10-15(21-16(20-12)22-17(2,3)4)19-9-8-13-6-5-7-14(18)11-13/h5-7,10-11H,8-9H2,1-4H3,(H2,19,20,21,22).
What are the key properties of 2-N-tert-butyl-4-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
2-N-tert-butyl-4-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 318.85 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-4-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112924756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).