benzyl N-[(7-pyrimidin-2-yl-3-azabicyclo[4.1.0]heptan-7-yl)methyl]carbamate

C19H22N4O2 — CID 164850769

IUPACbenzyl N-[(7-pyrimidin-2-yl-3-azabicyclo[4.1.0]heptan-7-yl)methyl]carbamate
SMILESO=C(NCC1(c2ncccn2)C2CCNCC21)OCc1ccccc1
InChIInChI=1S/C19H22N4O2/c24-18(25-12-14-5-2-1-3-6-14)23-13-19(17-21-8-4-9-22-17)15-7-10-20-11-16(15)19/h1-6,8-9,15-16,20H,7,10-13H2,(H,23,24)
InChIKeyWUCWTMXGCUSZGN-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.88
Rot. Bonds5

About benzyl N-[(7-pyrimidin-2-yl-3-azabicyclo[4.1.0]heptan-7-yl)methyl]carbamate

benzyl N-[(7-pyrimidin-2-yl-3-azabicyclo[4.1.0]heptan-7-yl)methyl]carbamate (PubChem CID 164850769) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is benzyl N-[(7-pyrimidin-2-yl-3-azabicyclo[4.1.0]heptan-7-yl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(7-pyrimidin-2-yl-3-azabicyclo[4.1.0]heptan-7-yl)methyl]carbamate
PubChem CID164850769
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Namebenzyl N-[(7-pyrimidin-2-yl-3-azabicyclo[4.1.0]heptan-7-yl)methyl]carbamate
SMILESO=C(NCC1(c2ncccn2)C2CCNCC21)OCc1ccccc1
InChIInChI=1S/C19H22N4O2/c24-18(25-12-14-5-2-1-3-6-14)23-13-19(17-21-8-4-9-22-17)15-7-10-20-11-16(15)19/h1-6,8-9,15-16,20H,7,10-13H2,(H,23,24)
InChIKeyWUCWTMXGCUSZGN-UHFFFAOYSA-N
XLogP1.88
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[[(1S,6R,7S)-7-(1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate
CID 171410036
benzyl N-[[(1R,5S)-6-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
CID 171410240
benzyl N-[2-[(3S)-pyrrolidin-3-yl]ethyl]carbamate
CID 97170433
benzyl N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]carbamate;hydrochloride
CID 168885230
benzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate
CID 117045629
(6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl N-benzylcarbamate
CID 164860541
benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate
CID 97357162
benzyl N-[[(3S,4S)-3-(trifluoromethyl)piperidin-4-yl]methyl]carbamate
CID 124634254
benzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate
CID 118048951
phenylmethoxycarbonylamino pyrrolidine-3-carboxylate
CID 175425879
benzyl N-[[(3R)-4,4-difluoropiperidin-3-yl]methyl]carbamate
CID 124671693
benzyl N-[5-[4-(azetidin-3-yloxy)phenoxy]pentyl]carbamate
CID 164888782

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(7-pyrimidin-2-yl-3-azabicyclo[4.1.0]heptan-7-yl)methyl]carbamate?
The IUPAC name of benzyl N-[(7-pyrimidin-2-yl-3-azabicyclo[4.1.0]heptan-7-yl)methyl]carbamate (CID 164850769) is benzyl N-[(7-pyrimidin-2-yl-3-azabicyclo[4.1.0]heptan-7-yl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(7-pyrimidin-2-yl-3-azabicyclo[4.1.0]heptan-7-yl)methyl]carbamate?
The canonical SMILES for benzyl N-[(7-pyrimidin-2-yl-3-azabicyclo[4.1.0]heptan-7-yl)methyl]carbamate is O=C(NCC1(c2ncccn2)C2CCNCC21)OCc1ccccc1.
What is the InChIKey of benzyl N-[(7-pyrimidin-2-yl-3-azabicyclo[4.1.0]heptan-7-yl)methyl]carbamate?
The InChIKey is WUCWTMXGCUSZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18(25-12-14-5-2-1-3-6-14)23-13-19(17-21-8-4-9-22-17)15-7-10-20-11-16(15)19/h1-6,8-9,15-16,20H,7,10-13H2,(H,23,24).
What are the key properties of benzyl N-[(7-pyrimidin-2-yl-3-azabicyclo[4.1.0]heptan-7-yl)methyl]carbamate?
benzyl N-[(7-pyrimidin-2-yl-3-azabicyclo[4.1.0]heptan-7-yl)methyl]carbamate has a molecular weight of 338.41 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(7-pyrimidin-2-yl-3-azabicyclo[4.1.0]heptan-7-yl)methyl]carbamate is sourced from PubChem (CID 164850769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).