2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-4-N-(1-methylimidazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine

C17H18FN9 — CID 45275368

IUPAC2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-4-N-(1-methylimidazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESC[C@H](Nc1nc(Nc2cn(C)cn2)c2ccn(C)c2n1)c1ncc(F)cn1
InChIInChI=1S/C17H18FN9/c1-10(14-19-6-11(18)7-20-14)22-17-24-15(23-13-8-26(2)9-21-13)12-4-5-27(3)16(12)25-17/h4-10H,1-3H3,(H2,22,23,24,25)/t10-/m0/s1
InChIKeyIGCWHAZMGYJLQW-JTQLQIEISA-N
MW367.39 g/mol
LogP2.55
Rot. Bonds5

About 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-4-N-(1-methylimidazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine

2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-4-N-(1-methylimidazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 45275368) has the molecular formula C17H18FN9 and a molecular weight of 367.39 g/mol. Its IUPAC name is 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-4-N-(1-methylimidazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-4-N-(1-methylimidazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID45275368
Molecular FormulaC17H18FN9
Molecular Weight367.39 g/mol
Exact Mass367.17
IUPAC Name2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-4-N-(1-methylimidazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESC[C@H](Nc1nc(Nc2cn(C)cn2)c2ccn(C)c2n1)c1ncc(F)cn1
InChIInChI=1S/C17H18FN9/c1-10(14-19-6-11(18)7-20-14)22-17-24-15(23-13-8-26(2)9-21-13)12-4-5-27(3)16(12)25-17/h4-10H,1-3H3,(H2,22,23,24,25)/t10-/m0/s1
InChIKeyIGCWHAZMGYJLQW-JTQLQIEISA-N
XLogP2.55
TPSA98.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-4-N-(1-methylimidazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-((1S)-1-(5-Fluoropyrimidin-2-yl)ethyl)-4-N-(1-methylimidazol-4-yl)-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
CID 45275255
5-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
CID 24971381
N-(1-methylpiperidin-4-yl)-3-(1-pyrazin-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 66549112
7-cyclopropyl-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 67330694
N-methyl-N-[(3R)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 134537050
N-[(3R)-1-butylpyrrolidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 134537061
3-[(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]propanenitrile
CID 134537114
5-[prop-2-ynyl-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]amino]pyrazine-2-carbonitrile
CID 56848518
(3R)-N-cyclopentyl-N-prop-2-enyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 56849311
(3R)-N-cyclopentyl-N-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 56849372
3-[methyl-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]amino]propanenitrile
CID 68029339
5-[methyl-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]amino]pyrazine-2-carbonitrile
CID 68029340

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-4-N-(1-methylimidazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-4-N-(1-methylimidazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 45275368) is 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-4-N-(1-methylimidazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-4-N-(1-methylimidazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-4-N-(1-methylimidazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine is C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccn(C)c2n1)c1ncc(F)cn1.
What is the InChIKey of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-4-N-(1-methylimidazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is IGCWHAZMGYJLQW-JTQLQIEISA-N. The full InChI is InChI=1S/C17H18FN9/c1-10(14-19-6-11(18)7-20-14)22-17-24-15(23-13-8-26(2)9-21-13)12-4-5-27(3)16(12)25-17/h4-10H,1-3H3,(H2,22,23,24,25)/t10-/m0/s1.
What are the key properties of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-4-N-(1-methylimidazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine?
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-4-N-(1-methylimidazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 367.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-4-N-(1-methylimidazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 45275368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).