5-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one

C10H17N3O3 — CID 102929357

IUPAC5-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
SMILESCOCCOCCc1ncc(CN)c(=O)[nH]1
InChIInChI=1S/C10H17N3O3/c1-15-4-5-16-3-2-9-12-7-8(6-11)10(14)13-9/h7H,2-6,11H2,1H3,(H,12,13,14)
InChIKeyINILRNAUJSRQSN-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.57
Rot. Bonds7

About 5-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one

5-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one (PubChem CID 102929357) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
PubChem CID102929357
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name5-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
SMILESCOCCOCCc1ncc(CN)c(=O)[nH]1
InChIInChI=1S/C10H17N3O3/c1-15-4-5-16-3-2-9-12-7-8(6-11)10(14)13-9/h7H,2-6,11H2,1H3,(H,12,13,14)
InChIKeyINILRNAUJSRQSN-UHFFFAOYSA-N
XLogP-0.57
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103151251
5-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103151252
2-[2-(2,2-difluoroethoxy)ethyl]-5-(ethylaminomethyl)-1H-pyrimidin-6-one
CID 114206255
5-(Aminomethyl)-2-ethyl-4(3H)-pyrimidinone
CID 33741805
5-(aminomethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 33741918
4-Hydroxy-N-(3-isopropoxypropyl)-2-methylpyrimidine-5-carboxamide
CID 72934942
2-cyclopropyl-N-(3-ethoxypropyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74230436
5-(aminomethyl)-2-propyl-1H-pyrimidin-6-one
CID 82503030
2-ethyl-5-[(methoxyamino)methyl]-1H-pyrimidin-6-one
CID 82655075
2-[2-(2-methoxyethoxy)ethyl]-6-oxo-1H-pyrimidine-5-carbonitrile
CID 102929356
5-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 104189905
5-(aminomethyl)-2-(1-ethoxyethyl)-1H-pyrimidin-6-one
CID 104189947

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one (CID 102929357) is 5-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one is COCCOCCc1ncc(CN)c(=O)[nH]1.
What is the InChIKey of 5-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The InChIKey is INILRNAUJSRQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-15-4-5-16-3-2-9-12-7-8(6-11)10(14)13-9/h7H,2-6,11H2,1H3,(H,12,13,14).
What are the key properties of 5-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
5-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one has a molecular weight of 227.26 g/mol, XLogP of -0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 102929357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).