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

C14H14Cl2N4 — CID 112867819

IUPAC4-N-(2,3-dichlorophenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
SMILESC=CCNc1cc(Nc2cccc(Cl)c2Cl)nc(C)n1
InChIInChI=1S/C14H14Cl2N4/c1-3-7-17-12-8-13(19-9(2)18-12)20-11-6-4-5-10(15)14(11)16/h3-6,8H,1,7H2,2H3,(H2,17,18,19,20)
InChIKeyYZXIWVDJACTLHC-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.43
Rot. Bonds5

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

4-N-(2,3-dichlorophenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine (PubChem CID 112867819) has the molecular formula C14H14Cl2N4 and a molecular weight of 309.20 g/mol. Its IUPAC name is 4-N-(2,3-dichlorophenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-dichlorophenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
PubChem CID112867819
Molecular FormulaC14H14Cl2N4
Molecular Weight309.20 g/mol
Exact Mass308.06
IUPAC Name4-N-(2,3-dichlorophenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
SMILESC=CCNc1cc(Nc2cccc(Cl)c2Cl)nc(C)n1
InChIInChI=1S/C14H14Cl2N4/c1-3-7-17-12-8-13(19-9(2)18-12)20-11-6-4-5-10(15)14(11)16/h3-6,8H,1,7H2,2H3,(H2,17,18,19,20)
InChIKeyYZXIWVDJACTLHC-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

2-N-(2,3-dichlorophenyl)-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907868
4-N-(2,3-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876944
2-methyl-6-N-prop-2-enyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112867774
3-N-(2,3-dichlorophenyl)-5-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939663
4-N-(4-bromo-2-methylphenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867800
4-N-(3-fluorophenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867796
2-[[6-(2,3-dichloroanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194960
4-N-tert-butyl-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867710
6-N-[2-(3-chlorophenyl)ethyl]-2-methyl-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867720
2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867831
2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile
CID 114765804
4-N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867812

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dichlorophenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-dichlorophenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine (CID 112867819) is 4-N-(2,3-dichlorophenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-dichlorophenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-dichlorophenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine is C=CCNc1cc(Nc2cccc(Cl)c2Cl)nc(C)n1.
What is the InChIKey of 4-N-(2,3-dichlorophenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine?
The InChIKey is YZXIWVDJACTLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4/c1-3-7-17-12-8-13(19-9(2)18-12)20-11-6-4-5-10(15)14(11)16/h3-6,8H,1,7H2,2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2,3-dichlorophenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine?
4-N-(2,3-dichlorophenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-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 4-N-(2,3-dichlorophenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine is sourced from PubChem (CID 112867819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).