benzyl N-[(2-pyrimidin-5-ylcyclopropyl)methyl]carbamate

C16H17N3O2 — CID 118512746

IUPACbenzyl N-[(2-pyrimidin-5-ylcyclopropyl)methyl]carbamate
SMILESO=C(NCC1CC1c1cncnc1)OCc1ccccc1
InChIInChI=1S/C16H17N3O2/c20-16(21-10-12-4-2-1-3-5-12)19-9-13-6-15(13)14-7-17-11-18-8-14/h1-5,7-8,11,13,15H,6,9-10H2,(H,19,20)
InChIKeyBEOIYXPWNLWSIL-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.51
Rot. Bonds5

About benzyl N-[(2-pyrimidin-5-ylcyclopropyl)methyl]carbamate

benzyl N-[(2-pyrimidin-5-ylcyclopropyl)methyl]carbamate (PubChem CID 118512746) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is benzyl N-[(2-pyrimidin-5-ylcyclopropyl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2-pyrimidin-5-ylcyclopropyl)methyl]carbamate
PubChem CID118512746
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Namebenzyl N-[(2-pyrimidin-5-ylcyclopropyl)methyl]carbamate
SMILESO=C(NCC1CC1c1cncnc1)OCc1ccccc1
InChIInChI=1S/C16H17N3O2/c20-16(21-10-12-4-2-1-3-5-12)19-9-13-6-15(13)14-7-17-11-18-8-14/h1-5,7-8,11,13,15H,6,9-10H2,(H,19,20)
InChIKeyBEOIYXPWNLWSIL-UHFFFAOYSA-N
XLogP2.51
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]methyl]carbamate
CID 90226069
benzyl N-[(2-isoquinolin-1-ylcyclopropyl)methyl]carbamate
CID 90220932
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[[(3S,4S)-4-fluoropyrrolidin-3-yl]methyl]carbamate
CID 131116805
benzyl N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]carbamate
CID 124634239
benzyl N-[[(3R)-4-nitrosopyrrolidin-3-yl]methyl]carbamate
CID 91332106
benzyl N-[(4-aminocyclohexyl)methyl]carbamate
CID 59845659
benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate
CID 169470986
benzyl N-(oxetan-3-ylmethyl)carbamate
CID 155920910
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[[(3S,4R)-4-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]carbamate
CID 164860831
benzyl N-[[6-(phenylmethoxycarbonylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]carbamate
CID 71477342

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2-pyrimidin-5-ylcyclopropyl)methyl]carbamate?
The IUPAC name of benzyl N-[(2-pyrimidin-5-ylcyclopropyl)methyl]carbamate (CID 118512746) is benzyl N-[(2-pyrimidin-5-ylcyclopropyl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(2-pyrimidin-5-ylcyclopropyl)methyl]carbamate?
The canonical SMILES for benzyl N-[(2-pyrimidin-5-ylcyclopropyl)methyl]carbamate is O=C(NCC1CC1c1cncnc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2-pyrimidin-5-ylcyclopropyl)methyl]carbamate?
The InChIKey is BEOIYXPWNLWSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-16(21-10-12-4-2-1-3-5-12)19-9-13-6-15(13)14-7-17-11-18-8-14/h1-5,7-8,11,13,15H,6,9-10H2,(H,19,20).
What are the key properties of benzyl N-[(2-pyrimidin-5-ylcyclopropyl)methyl]carbamate?
benzyl N-[(2-pyrimidin-5-ylcyclopropyl)methyl]carbamate has a molecular weight of 283.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2-pyrimidin-5-ylcyclopropyl)methyl]carbamate is sourced from PubChem (CID 118512746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).