5-amino-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one

C10H16N4O2 — CID 103241424

IUPAC5-amino-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
SMILESNc1c(OCCN2CCCC2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c11-8-9(15)12-7-13-10(8)16-6-5-14-3-1-2-4-14/h7H,1-6,11H2,(H,12,13,15)
InChIKeyPMWSNDMXRRWWTL-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.17
Rot. Bonds4

About 5-amino-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one

5-amino-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one (PubChem CID 103241424) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-amino-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
PubChem CID103241424
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-amino-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
SMILESNc1c(OCCN2CCCC2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c11-8-9(15)12-7-13-10(8)16-6-5-14-3-1-2-4-14/h7H,1-6,11H2,(H,12,13,15)
InChIKeyPMWSNDMXRRWWTL-UHFFFAOYSA-N
XLogP-0.17
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102741495
5-amino-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241376
5-amino-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241385
5-amino-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241411
5-amino-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one
CID 103241435
5-amino-4-[2-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one
CID 103241795
5-amino-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one
CID 103241873
5-amino-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586293
5-amino-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586322
5-amino-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586332
5-amino-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586341
5-amino-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586386

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one (CID 103241424) is 5-amino-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one is Nc1c(OCCN2CCCC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one?
The InChIKey is PMWSNDMXRRWWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-8-9(15)12-7-13-10(8)16-6-5-14-3-1-2-4-14/h7H,1-6,11H2,(H,12,13,15).
What are the key properties of 5-amino-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one?
5-amino-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).