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

C15H20ClN5 — CID 112913041

IUPAC4-N-(2-chlorophenyl)-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2Cl)nc(NCCN(C)C)n1
InChIInChI=1S/C15H20ClN5/c1-11-10-14(19-13-7-5-4-6-12(13)16)20-15(18-11)17-8-9-21(2)3/h4-7,10H,8-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyDYXUBXHUJMRQIR-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.16
Rot. Bonds6

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

4-N-(2-chlorophenyl)-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 112913041) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-N-(2-chlorophenyl)-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-chlorophenyl)-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
PubChem CID112913041
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name4-N-(2-chlorophenyl)-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2Cl)nc(NCCN(C)C)n1
InChIInChI=1S/C15H20ClN5/c1-11-10-14(19-13-7-5-4-6-12(13)16)20-15(18-11)17-8-9-21(2)3/h4-7,10H,8-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyDYXUBXHUJMRQIR-UHFFFAOYSA-N
XLogP3.16
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(2-chlorophenyl)-3-N-[2-(dimethylamino)ethyl]-1,2,4-triazine-3,5-diamine
CID 112944991
2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112913095
4-N-(2-chlorophenyl)-2-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921067
4-N-[2-(dimethylamino)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112912860
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112913100
2-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928067
2-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935950
2-N-(2-tert-butylphenyl)-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112912858
2-N-(3-chloro-2-methylphenyl)-4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 112913522
4-N-(3-chloro-2-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80762805
2-N-benzyl-4-N-(3-chloro-2-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112915711
2-N-(2-chlorophenyl)-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917807

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chlorophenyl)-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-chlorophenyl)-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine (CID 112913041) is 4-N-(2-chlorophenyl)-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-chlorophenyl)-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-chlorophenyl)-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2ccccc2Cl)nc(NCCN(C)C)n1.
What is the InChIKey of 4-N-(2-chlorophenyl)-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is DYXUBXHUJMRQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-11-10-14(19-13-7-5-4-6-12(13)16)20-15(18-11)17-8-9-21(2)3/h4-7,10H,8-9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2-chlorophenyl)-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine?
4-N-(2-chlorophenyl)-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 305.81 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chlorophenyl)-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112913041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).