N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide

C17H22N6O3 — CID 22543071

IUPACN'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
SMILESNc1c(NCC2CCCO2)ncnc1NNC(=O)COc1ccccc1
InChIInChI=1S/C17H22N6O3/c18-15-16(19-9-13-7-4-8-25-13)20-11-21-17(15)23-22-14(24)10-26-12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10,18H2,(H,22,24)(H2,19,20,21,23)
InChIKeyDUYALNDLQCPVRP-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.17
Rot. Bonds8

About N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide

N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide (PubChem CID 22543071) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
PubChem CID22543071
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC NameN'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
SMILESNc1c(NCC2CCCO2)ncnc1NNC(=O)COc1ccccc1
InChIInChI=1S/C17H22N6O3/c18-15-16(19-9-13-7-4-8-25-13)20-11-21-17(15)23-22-14(24)10-26-12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10,18H2,(H,22,24)(H2,19,20,21,23)
InChIKeyDUYALNDLQCPVRP-UHFFFAOYSA-N
XLogP1.17
TPSA123.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22543062
6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542939
N-(oxolan-2-ylmethyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 18168439
N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 19151220
6-N-(3-methoxypropyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542993
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890
N-[4-(oxolan-2-ylmethylamino)phenyl]-3-phenoxypropanamide
CID 112981200
6-(3,5-dimethylphenoxy)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 22540649
methyl 1-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 22543107
4-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid
CID 16641766
methyl 2-[[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate
CID 19146255
2-methyl-N'-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]benzohydrazide
CID 23481574

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide?
The IUPAC name of N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide (CID 22543071) is N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide.
What is the SMILES notation for N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide?
The canonical SMILES for N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide is Nc1c(NCC2CCCO2)ncnc1NNC(=O)COc1ccccc1.
What is the InChIKey of N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide?
The InChIKey is DUYALNDLQCPVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c18-15-16(19-9-13-7-4-8-25-13)20-11-21-17(15)23-22-14(24)10-26-12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10,18H2,(H,22,24)(H2,19,20,21,23).
What are the key properties of N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide?
N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide has a molecular weight of 358.40 g/mol, XLogP of 1.17, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide is sourced from PubChem (CID 22543071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).