N-(3-phenylmethoxycyclobutyl)pyrimidine-5-carboxamide

C16H17N3O2 — CID 91545004

IUPACN-(3-phenylmethoxycyclobutyl)pyrimidine-5-carboxamide
SMILESO=C(NC1CC(OCc2ccccc2)C1)c1cncnc1
InChIInChI=1S/C16H17N3O2/c20-16(13-8-17-11-18-9-13)19-14-6-15(7-14)21-10-12-4-2-1-3-5-12/h1-5,8-9,11,14-15H,6-7,10H2,(H,19,20)
InChIKeyVAEOYULKGJXFMF-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.95
Rot. Bonds5

About N-(3-phenylmethoxycyclobutyl)pyrimidine-5-carboxamide

N-(3-phenylmethoxycyclobutyl)pyrimidine-5-carboxamide (PubChem CID 91545004) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(3-phenylmethoxycyclobutyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-phenylmethoxycyclobutyl)pyrimidine-5-carboxamide
PubChem CID91545004
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-(3-phenylmethoxycyclobutyl)pyrimidine-5-carboxamide
SMILESO=C(NC1CC(OCc2ccccc2)C1)c1cncnc1
InChIInChI=1S/C16H17N3O2/c20-16(13-8-17-11-18-9-13)19-14-6-15(7-14)21-10-12-4-2-1-3-5-12/h1-5,8-9,11,14-15H,6-7,10H2,(H,19,20)
InChIKeyVAEOYULKGJXFMF-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-2-amino-3-[(3-phenylmethoxycyclobutyl)amino]but-2-enoic acid
CID 164920377
[(1R,2S,3R,5S)-2,3,5-tris(phenylmethoxy)cyclohexyl] benzoate
CID 102168606
2,2,2-trichloroethyl N-(3-phenylmethoxycyclobutyl)carbamate
CID 168926737
[(2S,6S)-2,4,6-tris(phenylmethoxy)cyclohexyl] benzoate
CID 102168602
[3-[(4-bromophenyl)methoxy]cyclobutyl]carbamic acid
CID 118524795
(1S,3R,4R)-4-amino-3-hydroxy-N-(3-phenylmethoxycyclobutyl)cyclohexane-1-carboxamide
CID 155491744
(1R,9S)-6-oxo-N-(3-phenylmethoxycyclobutyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-5-carboxamide
CID 172670476
(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030
3-phenylmethoxycyclobutane-1-carboxamide
CID 121012391
2,4-bis(phenylmethoxy)cyclopentan-1-ol
CID 57200651
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
(1R,3S,5S)-3,5-bis(phenylmethoxy)cyclohexane-1,2-diol
CID 91005929

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylmethoxycyclobutyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-phenylmethoxycyclobutyl)pyrimidine-5-carboxamide (CID 91545004) is N-(3-phenylmethoxycyclobutyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-phenylmethoxycyclobutyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-phenylmethoxycyclobutyl)pyrimidine-5-carboxamide is O=C(NC1CC(OCc2ccccc2)C1)c1cncnc1.
What is the InChIKey of N-(3-phenylmethoxycyclobutyl)pyrimidine-5-carboxamide?
The InChIKey is VAEOYULKGJXFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-16(13-8-17-11-18-9-13)19-14-6-15(7-14)21-10-12-4-2-1-3-5-12/h1-5,8-9,11,14-15H,6-7,10H2,(H,19,20).
What are the key properties of N-(3-phenylmethoxycyclobutyl)pyrimidine-5-carboxamide?
N-(3-phenylmethoxycyclobutyl)pyrimidine-5-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylmethoxycyclobutyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 91545004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).