benzyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate

C19H23N5O4 — CID 5329587

IUPACbenzyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate
SMILESNc1nc(NC(=O)OCc2ccccc2)c(N=O)c(OCC2CCCCC2)n1
InChIInChI=1S/C19H23N5O4/c20-18-21-16(22-19(25)28-12-14-9-5-2-6-10-14)15(24-26)17(23-18)27-11-13-7-3-1-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H3,20,21,22,23,25)
InChIKeyWJZXIJGPCGAFFI-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.16
Rot. Bonds7

About benzyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate

benzyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate (PubChem CID 5329587) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is benzyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate
PubChem CID5329587
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Namebenzyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate
SMILESNc1nc(NC(=O)OCc2ccccc2)c(N=O)c(OCC2CCCCC2)n1
InChIInChI=1S/C19H23N5O4/c20-18-21-16(22-19(25)28-12-14-9-5-2-6-10-14)15(24-26)17(23-18)27-11-13-7-3-1-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H3,20,21,22,23,25)
InChIKeyWJZXIJGPCGAFFI-UHFFFAOYSA-N
XLogP4.16
TPSA128.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2,4-Diamino-6-benzyloxy-5-nitrosopyrimidine
CID 181029
6-Benzyloxy-5-nitro-pyrimidine-2,4-diamine
CID 9860003
6-(cyclohexylmethoxy)-2-N-(4-methoxyphenyl)-5-nitrosopyrimidine-2,4-diamine
CID 5329601
2,5,6-Triamino-4-Benzyloxypyrimidine
CID 9816044
5-Nitroso-6-(4-fluorobenzyloxy)pyrimidine-2,4-diamine
CID 10264728
8-Oxo-Benzylguanine
CID 10422576
6-(4-Fluoro-benzyloxy)-5-nitro-pyrimidine-2,4-diamine
CID 10731331
4-(benzyloxy)-2-(dimethylamino)-7(8H)-pteridinone
CID 5409421
4-Amino-6-benzyloxy-5-nitropyrimidine
CID 10105947
6-(cyclohexylmethoxy)-5-nitroso-4-N-phenylpyrimidine-2,4-diamine
CID 5329588
6-(Benzyloxy)-2-methoxy-5-nitroso-4-pyrimidinamine
CID 378838
6-(3-Fluoro-benzyloxy)-5-nitro-pyrimidine-2,4-diamine
CID 10755107

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate?
The IUPAC name of benzyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate (CID 5329587) is benzyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate.
What is the SMILES notation for benzyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate?
The canonical SMILES for benzyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate is Nc1nc(NC(=O)OCc2ccccc2)c(N=O)c(OCC2CCCCC2)n1.
What is the InChIKey of benzyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate?
The InChIKey is WJZXIJGPCGAFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c20-18-21-16(22-19(25)28-12-14-9-5-2-6-10-14)15(24-26)17(23-18)27-11-13-7-3-1-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H3,20,21,22,23,25).
What are the key properties of benzyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate?
benzyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate has a molecular weight of 385.42 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate is sourced from PubChem (CID 5329587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).