2-N-(2,5-dichlorophenyl)-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine

C15H18Cl2N4O — CID 112911858

IUPAC2-N-(2,5-dichlorophenyl)-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
SMILESCOCCCNc1cc(C)nc(Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C15H18Cl2N4O/c1-10-8-14(18-6-3-7-22-2)21-15(19-10)20-13-9-11(16)4-5-12(13)17/h4-5,8-9H,3,6-7H2,1-2H3,(H2,18,19,20,21)
InChIKeyLISILOYDHQMSBE-UHFFFAOYSA-N
MW341.24 g/mol
LogP4.28
Rot. Bonds7

About 2-N-(2,5-dichlorophenyl)-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine

2-N-(2,5-dichlorophenyl)-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112911858) has the molecular formula C15H18Cl2N4O and a molecular weight of 341.24 g/mol. Its IUPAC name is 2-N-(2,5-dichlorophenyl)-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,5-dichlorophenyl)-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112911858
Molecular FormulaC15H18Cl2N4O
Molecular Weight341.24 g/mol
Exact Mass340.09
IUPAC Name2-N-(2,5-dichlorophenyl)-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
SMILESCOCCCNc1cc(C)nc(Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C15H18Cl2N4O/c1-10-8-14(18-6-3-7-22-2)21-15(19-10)20-13-9-11(16)4-5-12(13)17/h4-5,8-9H,3,6-7H2,1-2H3,(H2,18,19,20,21)
InChIKeyLISILOYDHQMSBE-UHFFFAOYSA-N
XLogP4.28
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911795
2-N-(2,4-dichlorophenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911488
4-N-(5-chloro-2-methoxyphenyl)-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911985
4-N-(2,5-dichlorophenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine
CID 112925567
methyl 4-chloro-3-[[2-(3-methoxypropylamino)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112912009
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911945
4-N-(3-methoxypropyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112911848
2-N-(3-bromo-4-methylphenyl)-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911805
2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911493
2-N-(3-bromophenyl)-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911841
2-N-benzyl-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911702
2-N-(2,4-difluorophenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911480

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dichlorophenyl)-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,5-dichlorophenyl)-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine (CID 112911858) is 2-N-(2,5-dichlorophenyl)-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,5-dichlorophenyl)-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,5-dichlorophenyl)-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine is COCCCNc1cc(C)nc(Nc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 2-N-(2,5-dichlorophenyl)-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is LISILOYDHQMSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O/c1-10-8-14(18-6-3-7-22-2)21-15(19-10)20-13-9-11(16)4-5-12(13)17/h4-5,8-9H,3,6-7H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-N-(2,5-dichlorophenyl)-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine?
2-N-(2,5-dichlorophenyl)-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 341.24 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-dichlorophenyl)-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112911858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).