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

C19H27N5 — CID 162625969

IUPAC4-[4-(dimethylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
SMILESCN(C)c1ccc(-c2ccnc(NCCN3CCCCC3)n2)cc1
InChIInChI=1S/C19H27N5/c1-23(2)17-8-6-16(7-9-17)18-10-11-20-19(22-18)21-12-15-24-13-4-3-5-14-24/h6-11H,3-5,12-15H2,1-2H3,(H,20,21,22)
InChIKeyFABXWRDBDGCQKS-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.11
Rot. Bonds6

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

4-[4-(dimethylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine (PubChem CID 162625969) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
PubChem CID162625969
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name4-[4-(dimethylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
SMILESCN(C)c1ccc(-c2ccnc(NCCN3CCCCC3)n2)cc1
InChIInChI=1S/C19H27N5/c1-23(2)17-8-6-16(7-9-17)18-10-11-20-19(22-18)21-12-15-24-13-4-3-5-14-24/h6-11H,3-5,12-15H2,1-2H3,(H,20,21,22)
InChIKeyFABXWRDBDGCQKS-UHFFFAOYSA-N
XLogP3.11
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 171989082
4-[4-(dimethylamino)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 162627933
N-[2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]ethyl]acetamide
CID 162626179
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
N-(2-piperidin-1-ylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112637281
2-N,4-N-bis(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 173305313
2-N-ethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 80833263
4-(2-methyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 118741337
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-quinolin-3-ylpyrimidin-2-amine
CID 171729477
cyclopentyl-[4-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 163305455
4-[2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-N,N-dimethylaniline
CID 162626259

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine (CID 162625969) is 4-[4-(dimethylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine is CN(C)c1ccc(-c2ccnc(NCCN3CCCCC3)n2)cc1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine?
The InChIKey is FABXWRDBDGCQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-23(2)17-8-6-16(7-9-17)18-10-11-20-19(22-18)21-12-15-24-13-4-3-5-14-24/h6-11H,3-5,12-15H2,1-2H3,(H,20,21,22).
What are the key properties of 4-[4-(dimethylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine?
4-[4-(dimethylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine has a molecular weight of 325.46 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 162625969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).