N-(4-piperidin-1-ylphenyl)-4-[4-(2-pyrimidin-4-ylhydrazinyl)phenyl]pyrimidin-2-amine

C25H26N8 — CID 143520950

IUPACN-(4-piperidin-1-ylphenyl)-4-[4-(2-pyrimidin-4-ylhydrazinyl)phenyl]pyrimidin-2-amine
SMILESc1cc(NNc2ccc(-c3ccnc(Nc4ccc(N5CCCCC5)cc4)n3)cc2)ncn1
InChIInChI=1S/C25H26N8/c1-2-16-33(17-3-1)22-10-8-20(9-11-22)29-25-27-15-12-23(30-25)19-4-6-21(7-5-19)31-32-24-13-14-26-18-28-24/h4-15,18,31H,1-3,16-17H2,(H,26,28,32)(H,27,29,30)
InChIKeyGBWYOEUQGWQTIA-UHFFFAOYSA-N
MW438.54 g/mol
LogP5.11
Rot. Bonds7

About N-(4-piperidin-1-ylphenyl)-4-[4-(2-pyrimidin-4-ylhydrazinyl)phenyl]pyrimidin-2-amine

N-(4-piperidin-1-ylphenyl)-4-[4-(2-pyrimidin-4-ylhydrazinyl)phenyl]pyrimidin-2-amine (PubChem CID 143520950) has the molecular formula C25H26N8 and a molecular weight of 438.54 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)-4-[4-(2-pyrimidin-4-ylhydrazinyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)-4-[4-(2-pyrimidin-4-ylhydrazinyl)phenyl]pyrimidin-2-amine
PubChem CID143520950
Molecular FormulaC25H26N8
Molecular Weight438.54 g/mol
Exact Mass438.23
IUPAC NameN-(4-piperidin-1-ylphenyl)-4-[4-(2-pyrimidin-4-ylhydrazinyl)phenyl]pyrimidin-2-amine
SMILESc1cc(NNc2ccc(-c3ccnc(Nc4ccc(N5CCCCC5)cc4)n3)cc2)ncn1
InChIInChI=1S/C25H26N8/c1-2-16-33(17-3-1)22-10-8-20(9-11-22)29-25-27-15-12-23(30-25)19-4-6-21(7-5-19)31-32-24-13-14-26-18-28-24/h4-15,18,31H,1-3,16-17H2,(H,26,28,32)(H,27,29,30)
InChIKeyGBWYOEUQGWQTIA-UHFFFAOYSA-N
XLogP5.11
TPSA90.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.54
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-piperidin-1-ylphenyl)-4-[4-(2-pyrimidin-4-ylhydrazinyl)phenyl]pyrimidin-2-amine with MolForge

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Related Compounds

(2S)-2-hydroxy-N-[4-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]propanamide
CID 70313966
4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 145490173
2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 116796160
4-N-propan-2-yl-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112882085
N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]cyclohexanecarboxamide
CID 159909500
2-N-(4-piperidin-1-ylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881881
2-N-[4-(dimethylamino)phenyl]-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112906073
4-N-(2-methylpropyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112883290
4-N-(2-chlorophenyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112903597
4-N-[(4-chlorophenyl)methyl]-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112891976
4-N-(4-piperidin-1-ylphenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893631
4-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 46882411

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)-4-[4-(2-pyrimidin-4-ylhydrazinyl)phenyl]pyrimidin-2-amine?
The IUPAC name of N-(4-piperidin-1-ylphenyl)-4-[4-(2-pyrimidin-4-ylhydrazinyl)phenyl]pyrimidin-2-amine (CID 143520950) is N-(4-piperidin-1-ylphenyl)-4-[4-(2-pyrimidin-4-ylhydrazinyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)-4-[4-(2-pyrimidin-4-ylhydrazinyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)-4-[4-(2-pyrimidin-4-ylhydrazinyl)phenyl]pyrimidin-2-amine is c1cc(NNc2ccc(-c3ccnc(Nc4ccc(N5CCCCC5)cc4)n3)cc2)ncn1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)-4-[4-(2-pyrimidin-4-ylhydrazinyl)phenyl]pyrimidin-2-amine?
The InChIKey is GBWYOEUQGWQTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8/c1-2-16-33(17-3-1)22-10-8-20(9-11-22)29-25-27-15-12-23(30-25)19-4-6-21(7-5-19)31-32-24-13-14-26-18-28-24/h4-15,18,31H,1-3,16-17H2,(H,26,28,32)(H,27,29,30).
What are the key properties of N-(4-piperidin-1-ylphenyl)-4-[4-(2-pyrimidin-4-ylhydrazinyl)phenyl]pyrimidin-2-amine?
N-(4-piperidin-1-ylphenyl)-4-[4-(2-pyrimidin-4-ylhydrazinyl)phenyl]pyrimidin-2-amine has a molecular weight of 438.54 g/mol, XLogP of 5.11, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)-4-[4-(2-pyrimidin-4-ylhydrazinyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 143520950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).