N,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrimidin-2-amine

C18H25N5 — CID 133418164

IUPACN,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrimidin-2-amine
SMILESCc1cnc(N(C)CCN2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C18H25N5/c1-16-14-19-18(20-15-16)21(2)8-9-22-10-12-23(13-11-22)17-6-4-3-5-7-17/h3-7,14-15H,8-13H2,1-2H3
InChIKeyLFJDZZQHJOSOCB-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.04
Rot. Bonds5

About N,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrimidin-2-amine

N,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrimidin-2-amine (PubChem CID 133418164) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrimidin-2-amine
PubChem CID133418164
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrimidin-2-amine
SMILESCc1cnc(N(C)CCN2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C18H25N5/c1-16-14-19-18(20-15-16)21(2)8-9-22-10-12-23(13-11-22)17-6-4-3-5-7-17/h3-7,14-15H,8-13H2,1-2H3
InChIKeyLFJDZZQHJOSOCB-UHFFFAOYSA-N
XLogP2.04
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]aniline
CID 84587099
5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 30182677
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-2-(4-phenylpiperazin-1-yl)ethanamine
CID 171913926
N-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 123906232
(1R)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-pyrimidin-4-ylethanamine
CID 124753171
2-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide;trihydrochloride
CID 119903413
4-[2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine
CID 91828439
N-amino-N-[2-(4-phenylpiperazin-1-yl)ethyl]formamide
CID 54091291
1-[2-(3-methyl-2H-pyrrol-5-yl)ethyl]-4-phenylpiperazine
CID 156720232
N-[3-[methyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]phenyl]methanesulfonamide;hydrochloride
CID 90656676
1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide
CID 119903379
tert-butyl N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate
CID 176742069

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of N,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrimidin-2-amine (CID 133418164) is N,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for N,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for N,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrimidin-2-amine is Cc1cnc(N(C)CCN2CCN(c3ccccc3)CC2)nc1.
What is the InChIKey of N,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrimidin-2-amine?
The InChIKey is LFJDZZQHJOSOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-16-14-19-18(20-15-16)21(2)8-9-22-10-12-23(13-11-22)17-6-4-3-5-7-17/h3-7,14-15H,8-13H2,1-2H3.
What are the key properties of N,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrimidin-2-amine?
N,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrimidin-2-amine has a molecular weight of 311.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 133418164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).