N-(4-cyclopropyl-6-methoxypyrimidin-5-yl)hydroxylamine

C8H11N3O2 — CID 172585709

IUPACN-(4-cyclopropyl-6-methoxypyrimidin-5-yl)hydroxylamine
SMILESCOc1ncnc(C2CC2)c1NO
InChIInChI=1S/C8H11N3O2/c1-13-8-7(11-12)6(5-2-3-5)9-4-10-8/h4-5,11-12H,2-3H2,1H3
InChIKeyLVQIRKMWLOYYCJ-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.16
Rot. Bonds3

About N-(4-cyclopropyl-6-methoxypyrimidin-5-yl)hydroxylamine

N-(4-cyclopropyl-6-methoxypyrimidin-5-yl)hydroxylamine (PubChem CID 172585709) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-(4-cyclopropyl-6-methoxypyrimidin-5-yl)hydroxylamine.

Molecular Properties

Compound NameN-(4-cyclopropyl-6-methoxypyrimidin-5-yl)hydroxylamine
PubChem CID172585709
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-(4-cyclopropyl-6-methoxypyrimidin-5-yl)hydroxylamine
SMILESCOc1ncnc(C2CC2)c1NO
InChIInChI=1S/C8H11N3O2/c1-13-8-7(11-12)6(5-2-3-5)9-4-10-8/h4-5,11-12H,2-3H2,1H3
InChIKeyLVQIRKMWLOYYCJ-UHFFFAOYSA-N
XLogP1.16
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-cyclopropyl-6-methoxypyrimidine-5-carbaldehyde
CID 83482118
2-(4-cyclopentyl-6-methoxypyrimidin-5-yl)acetic acid
CID 105497676
[4-cyclopropyl-6-(trideuteriomethoxy)pyrimidin-5-yl]boronic acid
CID 156675372
4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-ethyl-1,3,5-triazin-2-amine
CID 177165307
(4-cyclopropyl-6-ethoxypyrimidin-5-yl)boronic acid
CID 153104304
2-(6-methoxy-5-methylpyrimidin-4-yl)cyclopentan-1-amine
CID 112710672
3-(4-cyclopentyl-6-methoxypyrimidin-5-yl)propan-1-amine
CID 105496788
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(difluoromethyl)-4-methylsulfanylpyrimidine
CID 172586320
4-cyclobutyl-6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CID 162378726
CID 172585551
CID 172585551
5-chloro-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfanylpyrimidine
CID 172585981
4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 177165344

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-6-methoxypyrimidin-5-yl)hydroxylamine?
The IUPAC name of N-(4-cyclopropyl-6-methoxypyrimidin-5-yl)hydroxylamine (CID 172585709) is N-(4-cyclopropyl-6-methoxypyrimidin-5-yl)hydroxylamine.
What is the SMILES notation for N-(4-cyclopropyl-6-methoxypyrimidin-5-yl)hydroxylamine?
The canonical SMILES for N-(4-cyclopropyl-6-methoxypyrimidin-5-yl)hydroxylamine is COc1ncnc(C2CC2)c1NO.
What is the InChIKey of N-(4-cyclopropyl-6-methoxypyrimidin-5-yl)hydroxylamine?
The InChIKey is LVQIRKMWLOYYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-13-8-7(11-12)6(5-2-3-5)9-4-10-8/h4-5,11-12H,2-3H2,1H3.
What are the key properties of N-(4-cyclopropyl-6-methoxypyrimidin-5-yl)hydroxylamine?
N-(4-cyclopropyl-6-methoxypyrimidin-5-yl)hydroxylamine has a molecular weight of 181.19 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-6-methoxypyrimidin-5-yl)hydroxylamine is sourced from PubChem (CID 172585709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).