benzyl N-[(5-amino-4-phenylpyrimidin-2-yl)methyl]carbamate

C19H18N4O2 — CID 122609184

IUPACbenzyl N-[(5-amino-4-phenylpyrimidin-2-yl)methyl]carbamate
SMILESNc1cnc(CNC(=O)OCc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H18N4O2/c20-16-11-21-17(23-18(16)15-9-5-2-6-10-15)12-22-19(24)25-13-14-7-3-1-4-8-14/h1-11H,12-13,20H2,(H,22,24)
InChIKeyHYEKVRFOVJRKEX-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.15
Rot. Bonds5

About benzyl N-[(5-amino-4-phenylpyrimidin-2-yl)methyl]carbamate

benzyl N-[(5-amino-4-phenylpyrimidin-2-yl)methyl]carbamate (PubChem CID 122609184) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is benzyl N-[(5-amino-4-phenylpyrimidin-2-yl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(5-amino-4-phenylpyrimidin-2-yl)methyl]carbamate
PubChem CID122609184
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Namebenzyl N-[(5-amino-4-phenylpyrimidin-2-yl)methyl]carbamate
SMILESNc1cnc(CNC(=O)OCc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H18N4O2/c20-16-11-21-17(23-18(16)15-9-5-2-6-10-15)12-22-19(24)25-13-14-7-3-1-4-8-14/h1-11H,12-13,20H2,(H,22,24)
InChIKeyHYEKVRFOVJRKEX-UHFFFAOYSA-N
XLogP3.15
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 71477342
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CID 121479410
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
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benzyl N-[(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]carbamate
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(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
benzyl N-[(2-methyl-1,3-oxazol-4-yl)methyl]carbamate
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benzyl N-(4-amino-5-fluoro-2-pyridinyl)carbamate
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benzyl N-ethylcarbamate;ethane;molecular hydrogen
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(5-amino-4-phenylpyrimidin-2-yl)methyl]carbamate?
The IUPAC name of benzyl N-[(5-amino-4-phenylpyrimidin-2-yl)methyl]carbamate (CID 122609184) is benzyl N-[(5-amino-4-phenylpyrimidin-2-yl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(5-amino-4-phenylpyrimidin-2-yl)methyl]carbamate?
The canonical SMILES for benzyl N-[(5-amino-4-phenylpyrimidin-2-yl)methyl]carbamate is Nc1cnc(CNC(=O)OCc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of benzyl N-[(5-amino-4-phenylpyrimidin-2-yl)methyl]carbamate?
The InChIKey is HYEKVRFOVJRKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-16-11-21-17(23-18(16)15-9-5-2-6-10-15)12-22-19(24)25-13-14-7-3-1-4-8-14/h1-11H,12-13,20H2,(H,22,24).
What are the key properties of benzyl N-[(5-amino-4-phenylpyrimidin-2-yl)methyl]carbamate?
benzyl N-[(5-amino-4-phenylpyrimidin-2-yl)methyl]carbamate has a molecular weight of 334.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(5-amino-4-phenylpyrimidin-2-yl)methyl]carbamate is sourced from PubChem (CID 122609184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).