5-amino-4-(4-pyrrolidin-2-ylphenoxy)-1H-pyrimidin-6-one;hydrochloride

C14H17ClN4O2 — CID 146290938

IUPAC5-amino-4-(4-pyrrolidin-2-ylphenoxy)-1H-pyrimidin-6-one;hydrochloride
SMILESCl.Nc1c(Oc2ccc(C3CCCN3)cc2)nc[nH]c1=O
InChIInChI=1S/C14H16N4O2.ClH/c15-12-13(19)17-8-18-14(12)20-10-5-3-9(4-6-10)11-2-1-7-16-11;/h3-6,8,11,16H,1-2,7,15H2,(H,17,18,19);1H
InChIKeySYEBJHZHBNLPNJ-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.99
Rot. Bonds3

About 5-amino-4-(4-pyrrolidin-2-ylphenoxy)-1H-pyrimidin-6-one;hydrochloride

5-amino-4-(4-pyrrolidin-2-ylphenoxy)-1H-pyrimidin-6-one;hydrochloride (PubChem CID 146290938) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 5-amino-4-(4-pyrrolidin-2-ylphenoxy)-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name5-amino-4-(4-pyrrolidin-2-ylphenoxy)-1H-pyrimidin-6-one;hydrochloride
PubChem CID146290938
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name5-amino-4-(4-pyrrolidin-2-ylphenoxy)-1H-pyrimidin-6-one;hydrochloride
SMILESCl.Nc1c(Oc2ccc(C3CCCN3)cc2)nc[nH]c1=O
InChIInChI=1S/C14H16N4O2.ClH/c15-12-13(19)17-8-18-14(12)20-10-5-3-9(4-6-10)11-2-1-7-16-11;/h3-6,8,11,16H,1-2,7,15H2,(H,17,18,19);1H
InChIKeySYEBJHZHBNLPNJ-UHFFFAOYSA-N
XLogP1.99
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-naphthalen-2-yloxy-1H-pyrimidin-6-one
CID 22543737
5-amino-4-(3-aminophenoxy)-1H-pyrimidin-6-one
CID 114578580
5-amino-4-[4-(2-fluoroethyl)phenoxy]-1H-pyrimidin-6-one
CID 156633904
5-amino-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 107171900
(2R)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride
CID 171196054
(2S)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride
CID 171196463
6-(4-pyrrolidin-2-ylphenyl)pyridin-3-amine;dihydrochloride
CID 154901065
(2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine
CID 66518885
3-(4-pyrrolidin-2-ylphenoxy)thietane 1,1-dioxide
CID 117421883
2-[4-(2-methylpropoxy)phenyl]pyrrolidine
CID 77131626
6-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 96670413
4-[(2R)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171195835

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-pyrrolidin-2-ylphenoxy)-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 5-amino-4-(4-pyrrolidin-2-ylphenoxy)-1H-pyrimidin-6-one;hydrochloride (CID 146290938) is 5-amino-4-(4-pyrrolidin-2-ylphenoxy)-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 5-amino-4-(4-pyrrolidin-2-ylphenoxy)-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 5-amino-4-(4-pyrrolidin-2-ylphenoxy)-1H-pyrimidin-6-one;hydrochloride is Cl.Nc1c(Oc2ccc(C3CCCN3)cc2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(4-pyrrolidin-2-ylphenoxy)-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is SYEBJHZHBNLPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2.ClH/c15-12-13(19)17-8-18-14(12)20-10-5-3-9(4-6-10)11-2-1-7-16-11;/h3-6,8,11,16H,1-2,7,15H2,(H,17,18,19);1H.
What are the key properties of 5-amino-4-(4-pyrrolidin-2-ylphenoxy)-1H-pyrimidin-6-one;hydrochloride?
5-amino-4-(4-pyrrolidin-2-ylphenoxy)-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 308.77 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-pyrrolidin-2-ylphenoxy)-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 146290938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).