6-(cyclohexylmethoxy)-2-N-(4-methoxyphenyl)-5-nitrosopyrimidine-2,4-diamine

C18H23N5O3 — CID 5329601

IUPAC6-(cyclohexylmethoxy)-2-N-(4-methoxyphenyl)-5-nitrosopyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)c(N=O)c(OCC3CCCCC3)n2)cc1
InChIInChI=1S/C18H23N5O3/c1-25-14-9-7-13(8-10-14)20-18-21-16(19)15(23-24)17(22-18)26-11-12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3,(H3,19,20,21,22)
InChIKeyWWJLGEMPECUYJI-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.17
Rot. Bonds7

About 6-(cyclohexylmethoxy)-2-N-(4-methoxyphenyl)-5-nitrosopyrimidine-2,4-diamine

6-(cyclohexylmethoxy)-2-N-(4-methoxyphenyl)-5-nitrosopyrimidine-2,4-diamine (PubChem CID 5329601) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 6-(cyclohexylmethoxy)-2-N-(4-methoxyphenyl)-5-nitrosopyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(cyclohexylmethoxy)-2-N-(4-methoxyphenyl)-5-nitrosopyrimidine-2,4-diamine
PubChem CID5329601
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name6-(cyclohexylmethoxy)-2-N-(4-methoxyphenyl)-5-nitrosopyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)c(N=O)c(OCC3CCCCC3)n2)cc1
InChIInChI=1S/C18H23N5O3/c1-25-14-9-7-13(8-10-14)20-18-21-16(19)15(23-24)17(22-18)26-11-12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3,(H3,19,20,21,22)
InChIKeyWWJLGEMPECUYJI-UHFFFAOYSA-N
XLogP4.17
TPSA111.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-Pyrimidinamine, 4-methyl-5-nitro-6-(phenylmethoxy)-
CID 10244340
2,4-Diamino-6-benzyloxy-5-nitrosopyrimidine
CID 181029
2-N-(3-bromophenyl)-6-(cyclohexylmethoxy)-5-nitrosopyrimidine-2,4-diamine
CID 5329600
2-Arylamino-pyrimidine deriv. 9c
CID 5329602
4-{[4-Amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-2-yl]amino}benzene-1-sulfonamide
CID 5329603
2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine
CID 4322814
N~4~-(4-ethoxyphenyl)-N~2~-methyl-5-nitro-N~2~-phenylpyrimidine-2,4,6-triamine
CID 3367573
N~4~-(4-methoxyphenyl)-N~2~-methyl-5-nitro-N~2~-phenylpyrimidine-2,4,6-triamine
CID 4656900
2-N-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine
CID 3312436
N4-benzyl-N2-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
CID 3318525
2-N-(4-methoxyphenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine
CID 3753755
4-N-cyclohexyl-2-N-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
CID 3832753

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethoxy)-2-N-(4-methoxyphenyl)-5-nitrosopyrimidine-2,4-diamine?
The IUPAC name of 6-(cyclohexylmethoxy)-2-N-(4-methoxyphenyl)-5-nitrosopyrimidine-2,4-diamine (CID 5329601) is 6-(cyclohexylmethoxy)-2-N-(4-methoxyphenyl)-5-nitrosopyrimidine-2,4-diamine.
What is the SMILES notation for 6-(cyclohexylmethoxy)-2-N-(4-methoxyphenyl)-5-nitrosopyrimidine-2,4-diamine?
The canonical SMILES for 6-(cyclohexylmethoxy)-2-N-(4-methoxyphenyl)-5-nitrosopyrimidine-2,4-diamine is COc1ccc(Nc2nc(N)c(N=O)c(OCC3CCCCC3)n2)cc1.
What is the InChIKey of 6-(cyclohexylmethoxy)-2-N-(4-methoxyphenyl)-5-nitrosopyrimidine-2,4-diamine?
The InChIKey is WWJLGEMPECUYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-25-14-9-7-13(8-10-14)20-18-21-16(19)15(23-24)17(22-18)26-11-12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3,(H3,19,20,21,22).
What are the key properties of 6-(cyclohexylmethoxy)-2-N-(4-methoxyphenyl)-5-nitrosopyrimidine-2,4-diamine?
6-(cyclohexylmethoxy)-2-N-(4-methoxyphenyl)-5-nitrosopyrimidine-2,4-diamine has a molecular weight of 357.41 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethoxy)-2-N-(4-methoxyphenyl)-5-nitrosopyrimidine-2,4-diamine is sourced from PubChem (CID 5329601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).