2-N-(2,3-dichlorophenyl)-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine

C14H14Cl2N4 — CID 112907868

IUPAC2-N-(2,3-dichlorophenyl)-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCNc1cc(C)nc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C14H14Cl2N4/c1-3-7-17-12-8-9(2)18-14(20-12)19-11-6-4-5-10(15)13(11)16/h3-6,8H,1,7H2,2H3,(H2,17,18,19,20)
InChIKeyYNAIISQDVDLGRT-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.43
Rot. Bonds5

About 2-N-(2,3-dichlorophenyl)-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine

2-N-(2,3-dichlorophenyl)-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine (PubChem CID 112907868) has the molecular formula C14H14Cl2N4 and a molecular weight of 309.20 g/mol. Its IUPAC name is 2-N-(2,3-dichlorophenyl)-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,3-dichlorophenyl)-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine
PubChem CID112907868
Molecular FormulaC14H14Cl2N4
Molecular Weight309.20 g/mol
Exact Mass308.06
IUPAC Name2-N-(2,3-dichlorophenyl)-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCNc1cc(C)nc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C14H14Cl2N4/c1-3-7-17-12-8-9(2)18-14(20-12)19-11-6-4-5-10(15)13(11)16/h3-6,8H,1,7H2,2H3,(H2,17,18,19,20)
InChIKeyYNAIISQDVDLGRT-UHFFFAOYSA-N
XLogP4.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-N-(2,3-dichlorophenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867819
3-N-(2,3-dichlorophenyl)-5-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939663
2-N-(2,3-dichlorophenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917319
6-methyl-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine
CID 112907684
2-N-[(4-chlorophenyl)methyl]-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907715
2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907821
2-N-(2-chlorophenyl)-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917807
4-N-(2,3-dichlorophenyl)-2-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931912
2-N-(3-chloro-2-methylphenyl)-4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 112913522
2-(2,3-dichloroanilino)-6-methylpyrimidine-4-carbonitrile
CID 110383586
4-N-(4-chlorophenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907997
2-N-(2-chlorophenyl)-4-N-[(4-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918017

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dichlorophenyl)-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,3-dichlorophenyl)-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine (CID 112907868) is 2-N-(2,3-dichlorophenyl)-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,3-dichlorophenyl)-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,3-dichlorophenyl)-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine is C=CCNc1cc(C)nc(Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 2-N-(2,3-dichlorophenyl)-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine?
The InChIKey is YNAIISQDVDLGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4/c1-3-7-17-12-8-9(2)18-14(20-12)19-11-6-4-5-10(15)13(11)16/h3-6,8H,1,7H2,2H3,(H2,17,18,19,20).
What are the key properties of 2-N-(2,3-dichlorophenyl)-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine?
2-N-(2,3-dichlorophenyl)-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine has a molecular weight of 309.20 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dichlorophenyl)-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine is sourced from PubChem (CID 112907868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).