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

C18H19FN6 — CID 22060880

IUPAC2-N,4-N-bis(3-amino-4-methylphenyl)-5-fluoropyrimidine-2,4-diamine
SMILESCc1ccc(Nc2ncc(F)c(Nc3ccc(C)c(N)c3)n2)cc1N
InChIInChI=1S/C18H19FN6/c1-10-3-5-12(7-15(10)20)23-17-14(19)9-22-18(25-17)24-13-6-4-11(2)16(21)8-13/h3-9H,20-21H2,1-2H3,(H2,22,23,24,25)
InChIKeyMEKSTNZFURDVRN-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.88
Rot. Bonds4

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

2-N,4-N-bis(3-amino-4-methylphenyl)-5-fluoropyrimidine-2,4-diamine (PubChem CID 22060880) has the molecular formula C18H19FN6 and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-N,4-N-bis(3-amino-4-methylphenyl)-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(3-amino-4-methylphenyl)-5-fluoropyrimidine-2,4-diamine
PubChem CID22060880
Molecular FormulaC18H19FN6
Molecular Weight338.39 g/mol
Exact Mass338.17
IUPAC Name2-N,4-N-bis(3-amino-4-methylphenyl)-5-fluoropyrimidine-2,4-diamine
SMILESCc1ccc(Nc2ncc(F)c(Nc3ccc(C)c(N)c3)n2)cc1N
InChIInChI=1S/C18H19FN6/c1-10-3-5-12(7-15(10)20)23-17-14(19)9-22-18(25-17)24-13-6-4-11(2)16(21)8-13/h3-9H,20-21H2,1-2H3,(H2,22,23,24,25)
InChIKeyMEKSTNZFURDVRN-UHFFFAOYSA-N
XLogP3.88
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-N-(4-amino-3-methylphenyl)-4-N-(4-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 142899048
2-N,4-N-bis(3-amino-4-ethoxyphenyl)-5-fluoropyrimidine-2,4-diamine
CID 22060532
4-[[5-fluoro-2-(4-hydroxy-3-methylanilino)pyrimidin-4-yl]amino]-2-methylphenol
CID 22060693
2-N,4-N-bis(3-aminophenyl)-5-fluoropyrimidine-2,4-diamine;hydron
CID 69247498
5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine
CID 954308
4-N-(3-aminophenyl)-5-fluoro-2-N-(3-fluoro-4-methoxyphenyl)pyrimidine-2,4-diamine
CID 139565423
2-N,4-N-bis[4-(dimethylamino)phenyl]-5-fluoropyrimidine-2,4-diamine
CID 22060718
5-[[5-fluoro-4-(1H-indol-5-ylamino)pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
CID 67047589
5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 1284769
5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 22061080
5-[[4-(3-chloro-4-methoxyanilino)-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
CID 25187810
2-N,4-N-bis(2,5-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 802949

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(3-amino-4-methylphenyl)-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(3-amino-4-methylphenyl)-5-fluoropyrimidine-2,4-diamine (CID 22060880) is 2-N,4-N-bis(3-amino-4-methylphenyl)-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(3-amino-4-methylphenyl)-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(3-amino-4-methylphenyl)-5-fluoropyrimidine-2,4-diamine is Cc1ccc(Nc2ncc(F)c(Nc3ccc(C)c(N)c3)n2)cc1N.
What is the InChIKey of 2-N,4-N-bis(3-amino-4-methylphenyl)-5-fluoropyrimidine-2,4-diamine?
The InChIKey is MEKSTNZFURDVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6/c1-10-3-5-12(7-15(10)20)23-17-14(19)9-22-18(25-17)24-13-6-4-11(2)16(21)8-13/h3-9H,20-21H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 2-N,4-N-bis(3-amino-4-methylphenyl)-5-fluoropyrimidine-2,4-diamine?
2-N,4-N-bis(3-amino-4-methylphenyl)-5-fluoropyrimidine-2,4-diamine has a molecular weight of 338.39 g/mol, XLogP of 3.88, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(3-amino-4-methylphenyl)-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 22060880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).