3-pyrimidin-4-ylpropyl N-benzylcarbamate

C15H17N3O2 — CID 10107235

IUPAC3-pyrimidin-4-ylpropyl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OCCCc1ccncn1
InChIInChI=1S/C15H17N3O2/c19-15(17-11-13-5-2-1-3-6-13)20-10-4-7-14-8-9-16-12-18-14/h1-3,5-6,8-9,12H,4,7,10-11H2,(H,17,19)
InChIKeyVNSYDDLCQDMUHL-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.34
Rot. Bonds6

About 3-pyrimidin-4-ylpropyl N-benzylcarbamate

3-pyrimidin-4-ylpropyl N-benzylcarbamate (PubChem CID 10107235) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-pyrimidin-4-ylpropyl N-benzylcarbamate.

Molecular Properties

Compound Name3-pyrimidin-4-ylpropyl N-benzylcarbamate
PubChem CID10107235
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-pyrimidin-4-ylpropyl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OCCCc1ccncn1
InChIInChI=1S/C15H17N3O2/c19-15(17-11-13-5-2-1-3-6-13)20-10-4-7-14-8-9-16-12-18-14/h1-3,5-6,8-9,12H,4,7,10-11H2,(H,17,19)
InChIKeyVNSYDDLCQDMUHL-UHFFFAOYSA-N
XLogP2.34
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-pyridin-3-ylpropyl N-benzylcarbamate
CID 10333345
5-phenylpentyl N-[(4-chlorophenyl)methyl]carbamate
CID 6711074
benzene;ethyl N-benzylcarbamate
CID 67715166
3-phenylpropyl N-(2-phenoxyethyl)carbamate
CID 6733581
2-(prop-2-enoylamino)ethyl N-benzylcarbamate
CID 166676407
3-[[3-[[3-(3-phenylpropanoyloxy)propoxycarbonylamino]methyl]phenyl]methylcarbamoyloxy]propyl 3-phenylpropanoate
CID 159969461
3-hydroxybutyl N-benzylcarbamate
CID 142744474
3-(3-phenylpropanoyloxy)propyl 8-[3-(benzylcarbamoyloxy)propoxycarbonylamino]octanoate
CID 161255572
2-[2-(hydroxymethyl)imidazol-1-yl]ethyl N-benzylcarbamate
CID 139970374
methyl 6-pyrimidin-4-ylhexanoate
CID 155251569
3-(phenylmethoxycarbonylamino)propyl N-[[3-[[3-(phenylmethoxycarbonylamino)propoxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 118581814
benzyl N-pyrimidin-4-ylcarbamate
CID 141216727

Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-4-ylpropyl N-benzylcarbamate?
The IUPAC name of 3-pyrimidin-4-ylpropyl N-benzylcarbamate (CID 10107235) is 3-pyrimidin-4-ylpropyl N-benzylcarbamate.
What is the SMILES notation for 3-pyrimidin-4-ylpropyl N-benzylcarbamate?
The canonical SMILES for 3-pyrimidin-4-ylpropyl N-benzylcarbamate is O=C(NCc1ccccc1)OCCCc1ccncn1.
What is the InChIKey of 3-pyrimidin-4-ylpropyl N-benzylcarbamate?
The InChIKey is VNSYDDLCQDMUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(17-11-13-5-2-1-3-6-13)20-10-4-7-14-8-9-16-12-18-14/h1-3,5-6,8-9,12H,4,7,10-11H2,(H,17,19).
What are the key properties of 3-pyrimidin-4-ylpropyl N-benzylcarbamate?
3-pyrimidin-4-ylpropyl N-benzylcarbamate has a molecular weight of 271.32 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-4-ylpropyl N-benzylcarbamate is sourced from PubChem (CID 10107235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).