5-(4-phenoxyphenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine

C21H23N5O — CID 71092816

IUPAC5-(4-phenoxyphenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine
SMILESNc1ncnc(NC2CCNCC2)c1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H23N5O/c22-20-19(21(25-14-24-20)26-16-10-12-23-13-11-16)15-6-8-18(9-7-15)27-17-4-2-1-3-5-17/h1-9,14,16,23H,10-13H2,(H3,22,24,25,26)
InChIKeyREMQUQSIHHWNNP-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.68
Rot. Bonds5

About 5-(4-phenoxyphenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine

5-(4-phenoxyphenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine (PubChem CID 71092816) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-(4-phenoxyphenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-(4-phenoxyphenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine
PubChem CID71092816
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name5-(4-phenoxyphenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine
SMILESNc1ncnc(NC2CCNCC2)c1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H23N5O/c22-20-19(21(25-14-24-20)26-16-10-12-23-13-11-16)15-6-8-18(9-7-15)27-17-4-2-1-3-5-17/h1-9,14,16,23H,10-13H2,(H3,22,24,25,26)
InChIKeyREMQUQSIHHWNNP-UHFFFAOYSA-N
XLogP3.68
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-phenoxyphenyl)-4-N-(pyrrolidin-3-ylmethyl)pyrimidine-4,6-diamine
CID 71092961
5-(4-phenoxyphenyl)-6-[(piperidin-4-ylamino)methyl]pyrimidin-4-amine
CID 155797201
3-[[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid
CID 71093028
5-(4-phenoxyphenyl)-6-[(pyrrolidin-3-ylamino)methyl]pyrimidin-4-amine
CID 175098255
5-(4-phenoxybenzenecarboximidoyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine
CID 145124668
methyl (3S)-3-[[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]cyclohexane-1-carboxylate
CID 71092984
1-[(1S,3R)-3-[[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]cyclohexyl]prop-2-en-1-one
CID 126625160
N-[(1S)-3-[[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]cyclopentyl]prop-2-enamide
CID 129133289
N-[3-[[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]cyclopentyl]prop-2-enamide
CID 78080160
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
N-[(1S,3S)-3-[[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]cyclohexyl]prop-2-enamide
CID 86721764
N-[(1R,3S)-3-[[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]cyclohexyl]prop-2-ynamide
CID 89266679

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenoxyphenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine?
The IUPAC name of 5-(4-phenoxyphenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine (CID 71092816) is 5-(4-phenoxyphenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-(4-phenoxyphenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine?
The canonical SMILES for 5-(4-phenoxyphenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine is Nc1ncnc(NC2CCNCC2)c1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 5-(4-phenoxyphenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine?
The InChIKey is REMQUQSIHHWNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c22-20-19(21(25-14-24-20)26-16-10-12-23-13-11-16)15-6-8-18(9-7-15)27-17-4-2-1-3-5-17/h1-9,14,16,23H,10-13H2,(H3,22,24,25,26).
What are the key properties of 5-(4-phenoxyphenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine?
5-(4-phenoxyphenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine has a molecular weight of 361.45 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenoxyphenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 71092816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).