4-N-[4-[(2-amino-3-prop-1-en-2-yl-4-pyridinyl)amino]-3-fluorophenyl]-6-pyridin-4-ylpyrimidine-2,4-diamine

C23H21FN8 — CID 143132217

IUPAC4-N-[4-[(2-amino-3-prop-1-en-2-yl-4-pyridinyl)amino]-3-fluorophenyl]-6-pyridin-4-ylpyrimidine-2,4-diamine
SMILESC=C(C)c1c(Nc2ccc(Nc3cc(-c4ccncc4)nc(N)n3)cc2F)ccnc1N
InChIInChI=1S/C23H21FN8/c1-13(2)21-18(7-10-28-22(21)25)30-17-4-3-15(11-16(17)24)29-20-12-19(31-23(26)32-20)14-5-8-27-9-6-14/h3-12H,1H2,2H3,(H3,25,28,30)(H3,26,29,31,32)
InChIKeyRKDCQMRCPFBPLW-UHFFFAOYSA-N
MW428.48 g/mol
LogP4.76
Rot. Bonds6

About 4-N-[4-[(2-amino-3-prop-1-en-2-yl-4-pyridinyl)amino]-3-fluorophenyl]-6-pyridin-4-ylpyrimidine-2,4-diamine

4-N-[4-[(2-amino-3-prop-1-en-2-yl-4-pyridinyl)amino]-3-fluorophenyl]-6-pyridin-4-ylpyrimidine-2,4-diamine (PubChem CID 143132217) has the molecular formula C23H21FN8 and a molecular weight of 428.48 g/mol. Its IUPAC name is 4-N-[4-[(2-amino-3-prop-1-en-2-yl-4-pyridinyl)amino]-3-fluorophenyl]-6-pyridin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[4-[(2-amino-3-prop-1-en-2-yl-4-pyridinyl)amino]-3-fluorophenyl]-6-pyridin-4-ylpyrimidine-2,4-diamine
PubChem CID143132217
Molecular FormulaC23H21FN8
Molecular Weight428.48 g/mol
Exact Mass428.19
IUPAC Name4-N-[4-[(2-amino-3-prop-1-en-2-yl-4-pyridinyl)amino]-3-fluorophenyl]-6-pyridin-4-ylpyrimidine-2,4-diamine
SMILESC=C(C)c1c(Nc2ccc(Nc3cc(-c4ccncc4)nc(N)n3)cc2F)ccnc1N
InChIInChI=1S/C23H21FN8/c1-13(2)21-18(7-10-28-22(21)25)30-17-4-3-15(11-16(17)24)29-20-12-19(31-23(26)32-20)14-5-8-27-9-6-14/h3-12H,1H2,2H3,(H3,25,28,30)(H3,26,29,31,32)
InChIKeyRKDCQMRCPFBPLW-UHFFFAOYSA-N
XLogP4.76
TPSA127.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 54.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-N-[4-[(2-amino-3-prop-1-en-2-yl-4-pyridinyl)amino]-3-fluorophenyl]-6-pyridin-4-ylpyrimidine-2,4-diamine with MolForge

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Related Compounds

2-(2-amino-6-anilinopyrimidin-4-yl)-4-(2-fluoro-4-methylanilino)phenol
CID 142680330
4-[4-[[2-amino-6-[4-(fluoromethyl)phenyl]pyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxylic acid
CID 70905547
4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine;6-pyridin-3-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-pyridin-4-yl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
CID 162050755
4-N-[3-fluoro-4-(pyridin-4-ylamino)phenyl]-6-methylpyrimidine-2,4-diamine;1-heptan-4-ylpyrrolidine
CID 142841301
4-N-(3-fluoro-4-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112726031
ethane;4-N-(3-fluoro-4-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 143338862
4-N-cyclopropyl-6-pyridin-4-ylpyrimidine-2,4-diamine
CID 131902360
2-(2-aminopyrimidin-4-yl)-4-(4-chloro-2-fluoroanilino)phenol
CID 142680353
4-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-6-pyridin-3-ylpyrimidine-2,4-diamine
CID 177372804
4-N-(4-bromo-3-fluorophenyl)pyrimidine-2,4-diamine
CID 80843375
4-N-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-6-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 58733331
2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine
CID 157044293

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[(2-amino-3-prop-1-en-2-yl-4-pyridinyl)amino]-3-fluorophenyl]-6-pyridin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[4-[(2-amino-3-prop-1-en-2-yl-4-pyridinyl)amino]-3-fluorophenyl]-6-pyridin-4-ylpyrimidine-2,4-diamine (CID 143132217) is 4-N-[4-[(2-amino-3-prop-1-en-2-yl-4-pyridinyl)amino]-3-fluorophenyl]-6-pyridin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[4-[(2-amino-3-prop-1-en-2-yl-4-pyridinyl)amino]-3-fluorophenyl]-6-pyridin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[4-[(2-amino-3-prop-1-en-2-yl-4-pyridinyl)amino]-3-fluorophenyl]-6-pyridin-4-ylpyrimidine-2,4-diamine is C=C(C)c1c(Nc2ccc(Nc3cc(-c4ccncc4)nc(N)n3)cc2F)ccnc1N.
What is the InChIKey of 4-N-[4-[(2-amino-3-prop-1-en-2-yl-4-pyridinyl)amino]-3-fluorophenyl]-6-pyridin-4-ylpyrimidine-2,4-diamine?
The InChIKey is RKDCQMRCPFBPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN8/c1-13(2)21-18(7-10-28-22(21)25)30-17-4-3-15(11-16(17)24)29-20-12-19(31-23(26)32-20)14-5-8-27-9-6-14/h3-12H,1H2,2H3,(H3,25,28,30)(H3,26,29,31,32).
What are the key properties of 4-N-[4-[(2-amino-3-prop-1-en-2-yl-4-pyridinyl)amino]-3-fluorophenyl]-6-pyridin-4-ylpyrimidine-2,4-diamine?
4-N-[4-[(2-amino-3-prop-1-en-2-yl-4-pyridinyl)amino]-3-fluorophenyl]-6-pyridin-4-ylpyrimidine-2,4-diamine has a molecular weight of 428.48 g/mol, XLogP of 4.76, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[(2-amino-3-prop-1-en-2-yl-4-pyridinyl)amino]-3-fluorophenyl]-6-pyridin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 143132217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).