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

C13H19N5O4 — CID 5329586

IUPACmethyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate
SMILESCOC(=O)Nc1nc(N)nc(OCC2CCCCC2)c1N=O
InChIInChI=1S/C13H19N5O4/c1-21-13(19)16-10-9(18-20)11(17-12(14)15-10)22-7-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H3,14,15,16,17,19)
InChIKeyPCHQRIWGWJCMKF-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.59
Rot. Bonds5

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

methyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate (PubChem CID 5329586) has the molecular formula C13H19N5O4 and a molecular weight of 309.33 g/mol. Its IUPAC name is methyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate
PubChem CID5329586
Molecular FormulaC13H19N5O4
Molecular Weight309.33 g/mol
Exact Mass309.14
IUPAC Namemethyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate
SMILESCOC(=O)Nc1nc(N)nc(OCC2CCCCC2)c1N=O
InChIInChI=1S/C13H19N5O4/c1-21-13(19)16-10-9(18-20)11(17-12(14)15-10)22-7-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H3,14,15,16,17,19)
InChIKeyPCHQRIWGWJCMKF-UHFFFAOYSA-N
XLogP2.59
TPSA128.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate?
The IUPAC name of methyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate (CID 5329586) is methyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate?
The canonical SMILES for methyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate is COC(=O)Nc1nc(N)nc(OCC2CCCCC2)c1N=O.
What is the InChIKey of methyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate?
The InChIKey is PCHQRIWGWJCMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O4/c1-21-13(19)16-10-9(18-20)11(17-12(14)15-10)22-7-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H3,14,15,16,17,19).
What are the key properties of methyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate?
methyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate has a molecular weight of 309.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate is sourced from PubChem (CID 5329586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).