4-N-(2,5-dichlorophenyl)-6-N-[(2-fluorophenyl)methyl]pyrimidine-4,6-diamine

C17H13Cl2FN4 — CID 112859683

IUPAC4-N-(2,5-dichlorophenyl)-6-N-[(2-fluorophenyl)methyl]pyrimidine-4,6-diamine
SMILESFc1ccccc1CNc1cc(Nc2cc(Cl)ccc2Cl)ncn1
InChIInChI=1S/C17H13Cl2FN4/c18-12-5-6-13(19)15(7-12)24-17-8-16(22-10-23-17)21-9-11-3-1-2-4-14(11)20/h1-8,10H,9H2,(H2,21,22,23,24)
InChIKeyITSBMPATYUSUKC-UHFFFAOYSA-N
MW363.22 g/mol
LogP5.28
Rot. Bonds5

About 4-N-(2,5-dichlorophenyl)-6-N-[(2-fluorophenyl)methyl]pyrimidine-4,6-diamine

4-N-(2,5-dichlorophenyl)-6-N-[(2-fluorophenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 112859683) has the molecular formula C17H13Cl2FN4 and a molecular weight of 363.22 g/mol. Its IUPAC name is 4-N-(2,5-dichlorophenyl)-6-N-[(2-fluorophenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,5-dichlorophenyl)-6-N-[(2-fluorophenyl)methyl]pyrimidine-4,6-diamine
PubChem CID112859683
Molecular FormulaC17H13Cl2FN4
Molecular Weight363.22 g/mol
Exact Mass362.05
IUPAC Name4-N-(2,5-dichlorophenyl)-6-N-[(2-fluorophenyl)methyl]pyrimidine-4,6-diamine
SMILESFc1ccccc1CNc1cc(Nc2cc(Cl)ccc2Cl)ncn1
InChIInChI=1S/C17H13Cl2FN4/c18-12-5-6-13(19)15(7-12)24-17-8-16(22-10-23-17)21-9-11-3-1-2-4-14(11)20/h1-8,10H,9H2,(H2,21,22,23,24)
InChIKeyITSBMPATYUSUKC-UHFFFAOYSA-N
XLogP5.28
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.22
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-chloro-4-fluorophenyl)-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858961
4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112859560
6-N-[(2-fluorophenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855276
4-N-(3-chlorophenyl)-6-N-[(2-chlorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859904
4-N-(5-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80778536
6-N-[(2-fluorophenyl)methyl]-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112859666
6-N-[(2-chlorophenyl)methyl]-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146799
4-N-(2,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891344
4-N-(5-chloro-2-methylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 112865622
4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112859559
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112865738
4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine
CID 80784844

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dichlorophenyl)-6-N-[(2-fluorophenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,5-dichlorophenyl)-6-N-[(2-fluorophenyl)methyl]pyrimidine-4,6-diamine (CID 112859683) is 4-N-(2,5-dichlorophenyl)-6-N-[(2-fluorophenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,5-dichlorophenyl)-6-N-[(2-fluorophenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,5-dichlorophenyl)-6-N-[(2-fluorophenyl)methyl]pyrimidine-4,6-diamine is Fc1ccccc1CNc1cc(Nc2cc(Cl)ccc2Cl)ncn1.
What is the InChIKey of 4-N-(2,5-dichlorophenyl)-6-N-[(2-fluorophenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is ITSBMPATYUSUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2FN4/c18-12-5-6-13(19)15(7-12)24-17-8-16(22-10-23-17)21-9-11-3-1-2-4-14(11)20/h1-8,10H,9H2,(H2,21,22,23,24).
What are the key properties of 4-N-(2,5-dichlorophenyl)-6-N-[(2-fluorophenyl)methyl]pyrimidine-4,6-diamine?
4-N-(2,5-dichlorophenyl)-6-N-[(2-fluorophenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 363.22 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dichlorophenyl)-6-N-[(2-fluorophenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112859683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).