2-N-(4-amino-3-methylphenyl)-4-N-(4-chlorophenyl)-5-fluoropyrimidine-2,4-diamine

C17H15ClFN5 — CID 142899048

IUPAC2-N-(4-amino-3-methylphenyl)-4-N-(4-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
SMILESCc1cc(Nc2ncc(F)c(Nc3ccc(Cl)cc3)n2)ccc1N
InChIInChI=1S/C17H15ClFN5/c1-10-8-13(6-7-15(10)20)23-17-21-9-14(19)16(24-17)22-12-4-2-11(18)3-5-12/h2-9H,20H2,1H3,(H2,21,22,23,24)
InChIKeyQXJVUDLGBCVLKH-UHFFFAOYSA-N
MW343.79 g/mol
LogP4.65
Rot. Bonds4

About 2-N-(4-amino-3-methylphenyl)-4-N-(4-chlorophenyl)-5-fluoropyrimidine-2,4-diamine

2-N-(4-amino-3-methylphenyl)-4-N-(4-chlorophenyl)-5-fluoropyrimidine-2,4-diamine (PubChem CID 142899048) has the molecular formula C17H15ClFN5 and a molecular weight of 343.79 g/mol. Its IUPAC name is 2-N-(4-amino-3-methylphenyl)-4-N-(4-chlorophenyl)-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-amino-3-methylphenyl)-4-N-(4-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
PubChem CID142899048
Molecular FormulaC17H15ClFN5
Molecular Weight343.79 g/mol
Exact Mass343.10
IUPAC Name2-N-(4-amino-3-methylphenyl)-4-N-(4-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
SMILESCc1cc(Nc2ncc(F)c(Nc3ccc(Cl)cc3)n2)ccc1N
InChIInChI=1S/C17H15ClFN5/c1-10-8-13(6-7-15(10)20)23-17-21-9-14(19)16(24-17)22-12-4-2-11(18)3-5-12/h2-9H,20H2,1H3,(H2,21,22,23,24)
InChIKeyQXJVUDLGBCVLKH-UHFFFAOYSA-N
XLogP4.65
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N,4-N-bis(3-amino-4-methylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 22060880
4-[[5-fluoro-2-(4-hydroxy-3-methylanilino)pyrimidin-4-yl]amino]-2-methylphenol
CID 22060693
4-N-(4-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80761361
5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine
CID 954308
2-N,4-N-bis(3-amino-4-ethoxyphenyl)-5-fluoropyrimidine-2,4-diamine
CID 22060532
2-N,4-N-bis(3-aminophenyl)-5-fluoropyrimidine-2,4-diamine;hydron
CID 69247498
4-N-(4-chlorophenyl)-5-fluoro-2-N-(1-methyl-2,3-dihydroindazol-5-yl)pyrimidine-2,4-diamine
CID 66759074
2-N,4-N-bis[4-(dimethylamino)phenyl]-5-fluoropyrimidine-2,4-diamine
CID 22060718
N-[4-[[5-bromo-4-(4-chloroanilino)pyrimidin-2-yl]amino]-2-methylphenyl]methanesulfonamide
CID 142899026
2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 79080415
5-[[4-(3-chloro-4-methoxyanilino)-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
CID 25187810
4-N-(3,4-dichlorophenyl)-5-fluoro-2-N-(2-methyl-1-benzofuran-5-yl)pyrimidine-2,4-diamine;N-methylmethanamine
CID 67276852

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-amino-3-methylphenyl)-4-N-(4-chlorophenyl)-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-amino-3-methylphenyl)-4-N-(4-chlorophenyl)-5-fluoropyrimidine-2,4-diamine (CID 142899048) is 2-N-(4-amino-3-methylphenyl)-4-N-(4-chlorophenyl)-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-amino-3-methylphenyl)-4-N-(4-chlorophenyl)-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-amino-3-methylphenyl)-4-N-(4-chlorophenyl)-5-fluoropyrimidine-2,4-diamine is Cc1cc(Nc2ncc(F)c(Nc3ccc(Cl)cc3)n2)ccc1N.
What is the InChIKey of 2-N-(4-amino-3-methylphenyl)-4-N-(4-chlorophenyl)-5-fluoropyrimidine-2,4-diamine?
The InChIKey is QXJVUDLGBCVLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN5/c1-10-8-13(6-7-15(10)20)23-17-21-9-14(19)16(24-17)22-12-4-2-11(18)3-5-12/h2-9H,20H2,1H3,(H2,21,22,23,24).
What are the key properties of 2-N-(4-amino-3-methylphenyl)-4-N-(4-chlorophenyl)-5-fluoropyrimidine-2,4-diamine?
2-N-(4-amino-3-methylphenyl)-4-N-(4-chlorophenyl)-5-fluoropyrimidine-2,4-diamine has a molecular weight of 343.79 g/mol, XLogP of 4.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-amino-3-methylphenyl)-4-N-(4-chlorophenyl)-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 142899048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).