5-(3-piperidin-1-ylpropyl)-2-N-(3-pyridin-2-ylphenyl)pyrimidine-2,4-diamine

C23H28N6 — CID 91567782

IUPAC5-(3-piperidin-1-ylpropyl)-2-N-(3-pyridin-2-ylphenyl)pyrimidine-2,4-diamine
SMILESNc1nc(Nc2cccc(-c3ccccn3)c2)ncc1CCCN1CCCCC1
InChIInChI=1S/C23H28N6/c24-22-19(9-7-15-29-13-4-1-5-14-29)17-26-23(28-22)27-20-10-6-8-18(16-20)21-11-2-3-12-25-21/h2-3,6,8,10-12,16-17H,1,4-5,7,9,13-15H2,(H3,24,26,27,28)
InChIKeyHYUGLUVHEFBFAP-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.28
Rot. Bonds7

About 5-(3-piperidin-1-ylpropyl)-2-N-(3-pyridin-2-ylphenyl)pyrimidine-2,4-diamine

5-(3-piperidin-1-ylpropyl)-2-N-(3-pyridin-2-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 91567782) has the molecular formula C23H28N6 and a molecular weight of 388.52 g/mol. Its IUPAC name is 5-(3-piperidin-1-ylpropyl)-2-N-(3-pyridin-2-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3-piperidin-1-ylpropyl)-2-N-(3-pyridin-2-ylphenyl)pyrimidine-2,4-diamine
PubChem CID91567782
Molecular FormulaC23H28N6
Molecular Weight388.52 g/mol
Exact Mass388.24
IUPAC Name5-(3-piperidin-1-ylpropyl)-2-N-(3-pyridin-2-ylphenyl)pyrimidine-2,4-diamine
SMILESNc1nc(Nc2cccc(-c3ccccn3)c2)ncc1CCCN1CCCCC1
InChIInChI=1S/C23H28N6/c24-22-19(9-7-15-29-13-4-1-5-14-29)17-26-23(28-22)27-20-10-6-8-18(16-20)21-11-2-3-12-25-21/h2-3,6,8,10-12,16-17H,1,4-5,7,9,13-15H2,(H3,24,26,27,28)
InChIKeyHYUGLUVHEFBFAP-UHFFFAOYSA-N
XLogP4.28
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[3-(2,5-dihydropyrrol-1-yl)propyl]-2-N-(3-pyridin-2-ylphenyl)pyrimidine-2,4-diamine
CID 91262527
3-(3-piperidin-1-ylpropyl)pyridin-2-amine
CID 159183152
4-[3-(3-pyridin-2-ylphenyl)propyl]morpholine
CID 170869904
2-N-[3-(3-methoxyphenyl)phenyl]-4-N-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 24798064
5-[4-(dimethylamino)butyl]-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine
CID 67281260
6-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)pyridin-2-amine
CID 161281145
2-N-[3-(3-chlorophenyl)phenyl]-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 24798343
4-N-[3-(1,3-dihydropyrazol-2-yl)propyl]-2-N-(3-pyridin-2-ylphenyl)pyrimidine-2,4-diamine
CID 140520845
2-(3-piperidin-1-ylpropyl)aniline
CID 28721004
2-N-(3-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine
CID 145287660
4-[2-(3-phenylphenyl)-1H-imidazol-5-yl]-N-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrimidin-2-amine
CID 71104604
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 50826704

Frequently Asked Questions

What is the IUPAC name of 5-(3-piperidin-1-ylpropyl)-2-N-(3-pyridin-2-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(3-piperidin-1-ylpropyl)-2-N-(3-pyridin-2-ylphenyl)pyrimidine-2,4-diamine (CID 91567782) is 5-(3-piperidin-1-ylpropyl)-2-N-(3-pyridin-2-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3-piperidin-1-ylpropyl)-2-N-(3-pyridin-2-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(3-piperidin-1-ylpropyl)-2-N-(3-pyridin-2-ylphenyl)pyrimidine-2,4-diamine is Nc1nc(Nc2cccc(-c3ccccn3)c2)ncc1CCCN1CCCCC1.
What is the InChIKey of 5-(3-piperidin-1-ylpropyl)-2-N-(3-pyridin-2-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is HYUGLUVHEFBFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6/c24-22-19(9-7-15-29-13-4-1-5-14-29)17-26-23(28-22)27-20-10-6-8-18(16-20)21-11-2-3-12-25-21/h2-3,6,8,10-12,16-17H,1,4-5,7,9,13-15H2,(H3,24,26,27,28).
What are the key properties of 5-(3-piperidin-1-ylpropyl)-2-N-(3-pyridin-2-ylphenyl)pyrimidine-2,4-diamine?
5-(3-piperidin-1-ylpropyl)-2-N-(3-pyridin-2-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 388.52 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-piperidin-1-ylpropyl)-2-N-(3-pyridin-2-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 91567782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).