5-(4-phenoxyphenyl)-6-[(piperidin-4-ylamino)methyl]pyrimidin-4-amine

C22H25N5O — CID 155797201

IUPAC5-(4-phenoxyphenyl)-6-[(piperidin-4-ylamino)methyl]pyrimidin-4-amine
SMILESNc1ncnc(CNC2CCNCC2)c1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H25N5O/c23-22-21(20(26-15-27-22)14-25-17-10-12-24-13-11-17)16-6-8-19(9-7-16)28-18-4-2-1-3-5-18/h1-9,15,17,24-25H,10-14H2,(H2,23,26,27)
InChIKeyOEBCLQVMFVHAOV-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.36
Rot. Bonds6

About 5-(4-phenoxyphenyl)-6-[(piperidin-4-ylamino)methyl]pyrimidin-4-amine

5-(4-phenoxyphenyl)-6-[(piperidin-4-ylamino)methyl]pyrimidin-4-amine (PubChem CID 155797201) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 5-(4-phenoxyphenyl)-6-[(piperidin-4-ylamino)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-phenoxyphenyl)-6-[(piperidin-4-ylamino)methyl]pyrimidin-4-amine
PubChem CID155797201
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name5-(4-phenoxyphenyl)-6-[(piperidin-4-ylamino)methyl]pyrimidin-4-amine
SMILESNc1ncnc(CNC2CCNCC2)c1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H25N5O/c23-22-21(20(26-15-27-22)14-25-17-10-12-24-13-11-17)16-6-8-19(9-7-16)28-18-4-2-1-3-5-18/h1-9,15,17,24-25H,10-14H2,(H2,23,26,27)
InChIKeyOEBCLQVMFVHAOV-UHFFFAOYSA-N
XLogP3.36
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-(4-phenoxyphenyl)-6-[(piperidin-4-ylamino)methyl]pyrimidin-4-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

5-(4-phenoxyphenyl)-6-[(pyrrolidin-3-ylamino)methyl]pyrimidin-4-amine
CID 175098255
5-(4-phenoxyphenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine
CID 71092816
6-[[(1-tert-butylpyrrolidin-3-yl)amino]methyl]-5-(4-phenoxyphenyl)pyrimidin-4-amine
CID 175084934
5-(4-phenoxyphenyl)-4-N-(pyrrolidin-3-ylmethyl)pyrimidine-4,6-diamine
CID 71092961
6-methyl-5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 90150400
5-(4-phenoxyphenyl)-7-piperidin-3-yl-7H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 59740973
3-[[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid
CID 71093028
6-chloro-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 151327093
5-(4-phenoxybenzenecarboximidoyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine
CID 145124668
5-(4-phenoxyphenyl)-4-N-[(1-phenylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine
CID 174725088
1-[8-[[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]-5-azaspiro[3.5]nonan-3-yl]prop-2-en-1-one
CID 89266684
methyl (3S)-3-[[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]cyclohexane-1-carboxylate
CID 71092984

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenoxyphenyl)-6-[(piperidin-4-ylamino)methyl]pyrimidin-4-amine?
The IUPAC name of 5-(4-phenoxyphenyl)-6-[(piperidin-4-ylamino)methyl]pyrimidin-4-amine (CID 155797201) is 5-(4-phenoxyphenyl)-6-[(piperidin-4-ylamino)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-phenoxyphenyl)-6-[(piperidin-4-ylamino)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-(4-phenoxyphenyl)-6-[(piperidin-4-ylamino)methyl]pyrimidin-4-amine is Nc1ncnc(CNC2CCNCC2)c1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 5-(4-phenoxyphenyl)-6-[(piperidin-4-ylamino)methyl]pyrimidin-4-amine?
The InChIKey is OEBCLQVMFVHAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c23-22-21(20(26-15-27-22)14-25-17-10-12-24-13-11-17)16-6-8-19(9-7-16)28-18-4-2-1-3-5-18/h1-9,15,17,24-25H,10-14H2,(H2,23,26,27).
What are the key properties of 5-(4-phenoxyphenyl)-6-[(piperidin-4-ylamino)methyl]pyrimidin-4-amine?
5-(4-phenoxyphenyl)-6-[(piperidin-4-ylamino)methyl]pyrimidin-4-amine has a molecular weight of 375.48 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenoxyphenyl)-6-[(piperidin-4-ylamino)methyl]pyrimidin-4-amine is sourced from PubChem (CID 155797201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).