4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(oxolan-3-yl)pyrimidin-2-amine

C19H25N5O2 — CID 118780899

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(oxolan-3-yl)pyrimidin-2-amine
SMILESCOc1ccccc1N1CCN(c2cc(C3CCOC3)nc(N)n2)CC1
InChIInChI=1S/C19H25N5O2/c1-25-17-5-3-2-4-16(17)23-7-9-24(10-8-23)18-12-15(21-19(20)22-18)14-6-11-26-13-14/h2-5,12,14H,6-11,13H2,1H3,(H2,20,21,22)
InChIKeyTYEWYTXZMLBJDF-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.90
Rot. Bonds4

About 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(oxolan-3-yl)pyrimidin-2-amine

4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(oxolan-3-yl)pyrimidin-2-amine (PubChem CID 118780899) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(oxolan-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(oxolan-3-yl)pyrimidin-2-amine
PubChem CID118780899
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(oxolan-3-yl)pyrimidin-2-amine
SMILESCOc1ccccc1N1CCN(c2cc(C3CCOC3)nc(N)n2)CC1
InChIInChI=1S/C19H25N5O2/c1-25-17-5-3-2-4-16(17)23-7-9-24(10-8-23)18-12-15(21-19(20)22-18)14-6-11-26-13-14/h2-5,12,14H,6-11,13H2,1H3,(H2,20,21,22)
InChIKeyTYEWYTXZMLBJDF-UHFFFAOYSA-N
XLogP1.90
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(oxolan-3-yl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3S)-oxolan-3-yl]-6-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidin-2-amine
CID 126430353
2-[4-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]phenol
CID 126442787
4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 126436493
[1-[2-amino-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol
CID 126430167
4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 126433878
4-(4-cyclopentyl-1,4-diazepan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine
CID 119061021
4-[3-(methylamino)pyrrolidin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine
CID 66741197
6-[4-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 126428881
2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 126448608
4-methoxy-6-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]pyrimidin-2-amine
CID 72871640
4-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126433133
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(oxolan-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(oxolan-3-yl)pyrimidin-2-amine (CID 118780899) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(oxolan-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(oxolan-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(oxolan-3-yl)pyrimidin-2-amine is COc1ccccc1N1CCN(c2cc(C3CCOC3)nc(N)n2)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(oxolan-3-yl)pyrimidin-2-amine?
The InChIKey is TYEWYTXZMLBJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-25-17-5-3-2-4-16(17)23-7-9-24(10-8-23)18-12-15(21-19(20)22-18)14-6-11-26-13-14/h2-5,12,14H,6-11,13H2,1H3,(H2,20,21,22).
What are the key properties of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(oxolan-3-yl)pyrimidin-2-amine?
4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(oxolan-3-yl)pyrimidin-2-amine has a molecular weight of 355.44 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(oxolan-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 118780899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).