9H-fluoren-9-ylmethyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate

C26H26N4O2 — CID 169470328

IUPAC9H-fluoren-9-ylmethyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1cnc(N2CCCC2)nc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H26N4O2/c31-26(27-13-7-8-19-16-28-25(29-17-19)30-14-5-6-15-30)32-18-24-22-11-3-1-9-20(22)21-10-2-4-12-23(21)24/h1-4,7-12,16-17,24H,5-6,13-15,18H2,(H,27,31)
InChIKeyVFYZONMVJMOUBR-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.63
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate (PubChem CID 169470328) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate
PubChem CID169470328
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1cnc(N2CCCC2)nc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H26N4O2/c31-26(27-13-7-8-19-16-28-25(29-17-19)30-14-5-6-15-30)32-18-24-22-11-3-1-9-20(22)21-10-2-4-12-23(21)24/h1-4,7-12,16-17,24H,5-6,13-15,18H2,(H,27,31)
InChIKeyVFYZONMVJMOUBR-UHFFFAOYSA-N
XLogP4.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate
CID 169472385
9H-fluoren-9-ylmethyl N-(3-pyridin-3-ylprop-2-enyl)carbamate
CID 169468939
2-amino-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylic acid
CID 169469902
9H-fluoren-9-ylmethyl N-[3-(4-piperazin-1-ylphenyl)prop-2-enyl]carbamate
CID 169470346
9H-fluoren-9-ylmethyl N-[3-(6-ethoxy-3-pyridinyl)prop-2-enyl]carbamate
CID 169469649
9H-fluoren-9-ylmethyl N-[3-(5-formyl-3-pyridinyl)prop-2-enyl]carbamate
CID 169469299
9H-fluoren-9-ylmethyl N-[3-(2-methyl-4-pyridinyl)prop-2-enyl]carbamate
CID 169469022
9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169469145
9H-fluoren-9-ylmethyl N-[3-(5-fluoro-2-pyridinyl)prop-2-enyl]carbamate
CID 169469003
(2S)-2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyrazol-1-yl]propanoic acid
CID 169469905
9H-fluoren-9-ylmethyl N-(3-imidazo[1,2-a]pyridin-3-ylprop-2-enyl)carbamate
CID 169469690
9H-fluoren-9-ylmethyl N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469613

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate (CID 169470328) is 9H-fluoren-9-ylmethyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate is O=C(NCC=Cc1cnc(N2CCCC2)nc1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate?
The InChIKey is VFYZONMVJMOUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c31-26(27-13-7-8-19-16-28-25(29-17-19)30-14-5-6-15-30)32-18-24-22-11-3-1-9-20(22)21-10-2-4-12-23(21)24/h1-4,7-12,16-17,24H,5-6,13-15,18H2,(H,27,31).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate has a molecular weight of 426.52 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169470328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).