4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine

C15H18N4O — CID 19137368

IUPAC4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine
SMILESCc1ccc(Oc2ncnc(N3CCCC3)c2N)cc1
InChIInChI=1S/C15H18N4O/c1-11-4-6-12(7-5-11)20-15-13(16)14(17-10-18-15)19-8-2-3-9-19/h4-7,10H,2-3,8-9,16H2,1H3
InChIKeyNFXOTMVJRTUSEG-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.76
Rot. Bonds3

About 4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine

4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine (PubChem CID 19137368) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine
PubChem CID19137368
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine
SMILESCc1ccc(Oc2ncnc(N3CCCC3)c2N)cc1
InChIInChI=1S/C15H18N4O/c1-11-4-6-12(7-5-11)20-15-13(16)14(17-10-18-15)19-8-2-3-9-19/h4-7,10H,2-3,8-9,16H2,1H3
InChIKeyNFXOTMVJRTUSEG-UHFFFAOYSA-N
XLogP2.76
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylphenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine
CID 19138635
4-(azepan-1-yl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine
CID 22540689
4-(4-bromophenoxy)-6-piperidin-1-ylpyrimidin-5-amine
CID 19137603
4-(4-methylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19152632
4-(azepan-1-yl)-6-naphthalen-2-yloxypyrimidin-5-amine
CID 22543614
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(4-methylphenoxy)pyrimidin-5-amine
CID 19152633
4-naphthalen-1-yloxy-6-piperidin-1-ylpyrimidin-5-amine
CID 22541377
4-(3,5-dimethylphenoxy)-6-(3-methylpiperidin-1-yl)pyrimidin-5-amine
CID 22540701
2-[4-[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 22540705
4-(4-ethylpiperazin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine
CID 19138340
ethyl 1-[5-amino-6-(4-bromophenoxy)pyrimidin-4-yl]piperidine-3-carboxylate
CID 19142349
4-phenoxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19152572

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine?
The IUPAC name of 4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine (CID 19137368) is 4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine.
What is the SMILES notation for 4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine?
The canonical SMILES for 4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine is Cc1ccc(Oc2ncnc(N3CCCC3)c2N)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine?
The InChIKey is NFXOTMVJRTUSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11-4-6-12(7-5-11)20-15-13(16)14(17-10-18-15)19-8-2-3-9-19/h4-7,10H,2-3,8-9,16H2,1H3.
What are the key properties of 4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine?
4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine has a molecular weight of 270.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine is sourced from PubChem (CID 19137368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).