4-phenyl-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine

C17H22N4 — CID 171989082

IUPAC4-phenyl-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
SMILESc1ccc(-c2ccnc(NCCN3CCCCC3)n2)cc1
InChIInChI=1S/C17H22N4/c1-3-7-15(8-4-1)16-9-10-18-17(20-16)19-11-14-21-12-5-2-6-13-21/h1,3-4,7-10H,2,5-6,11-14H2,(H,18,19,20)
InChIKeyWWYFHDVXRNGIOO-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.04
Rot. Bonds5

About 4-phenyl-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine

4-phenyl-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine (PubChem CID 171989082) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-phenyl-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-phenyl-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
PubChem CID171989082
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-phenyl-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
SMILESc1ccc(-c2ccnc(NCCN3CCCCC3)n2)cc1
InChIInChI=1S/C17H22N4/c1-3-7-15(8-4-1)16-9-10-18-17(20-16)19-11-14-21-12-5-2-6-13-21/h1,3-4,7-10H,2,5-6,11-14H2,(H,18,19,20)
InChIKeyWWYFHDVXRNGIOO-UHFFFAOYSA-N
XLogP3.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(dimethylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 162625969
4-(2-methyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 118741337
4-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 129086023
N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine
CID 112637065
2-N,4-N-bis(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 173305313
N-(2-piperidin-1-ylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112637281
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-quinolin-3-ylpyrimidin-2-amine
CID 171729477
N'-(4-phenylpyrimidin-2-yl)propane-1,3-diamine
CID 117224364
2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine;dihydrochloride
CID 45050904
N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 60667125
2-N-ethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 80833263
3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 58103263

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4-phenyl-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine (CID 171989082) is 4-phenyl-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-phenyl-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-phenyl-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine is c1ccc(-c2ccnc(NCCN3CCCCC3)n2)cc1.
What is the InChIKey of 4-phenyl-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine?
The InChIKey is WWYFHDVXRNGIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-7-15(8-4-1)16-9-10-18-17(20-16)19-11-14-21-12-5-2-6-13-21/h1,3-4,7-10H,2,5-6,11-14H2,(H,18,19,20).
What are the key properties of 4-phenyl-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine?
4-phenyl-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 171989082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).