(1R)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-pyrimidin-4-ylethanamine

C19H27N5 — CID 124753171

IUPAC(1R)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-pyrimidin-4-ylethanamine
SMILESC[C@H](c1ccncn1)N(C)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H27N5/c1-17(19-8-9-20-16-21-19)22(2)10-11-23-12-14-24(15-13-23)18-6-4-3-5-7-18/h3-9,16-17H,10-15H2,1-2H3/t17-/m1/s1
InChIKeyLKNXQQYWYMSQLN-QGZVFWFLSA-N
MW325.46 g/mol
LogP2.29
Rot. Bonds6

About (1R)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-pyrimidin-4-ylethanamine

(1R)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-pyrimidin-4-ylethanamine (PubChem CID 124753171) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is (1R)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-pyrimidin-4-ylethanamine.

Molecular Properties

Compound Name(1R)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-pyrimidin-4-ylethanamine
PubChem CID124753171
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name(1R)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-pyrimidin-4-ylethanamine
SMILESC[C@H](c1ccncn1)N(C)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H27N5/c1-17(19-8-9-20-16-21-19)22(2)10-11-23-12-14-24(15-13-23)18-6-4-3-5-7-18/h3-9,16-17H,10-15H2,1-2H3/t17-/m1/s1
InChIKeyLKNXQQYWYMSQLN-QGZVFWFLSA-N
XLogP2.29
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrimidin-2-amine
CID 133418164
1-phenyl-4-[(3R)-3-phenylbutyl]piperazine
CID 7047121
2-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide;trihydrochloride
CID 119903413
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-2-(4-phenylpiperazin-1-yl)ethanamine
CID 171913926
N-amino-N-[2-(4-phenylpiperazin-1-yl)ethyl]formamide
CID 54091291
N-methyl-N-[2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]aniline
CID 84587099
1-[5-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 91796587
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
1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-amine
CID 115939557
1-phenyl-4-[(2R)-2-phenylpropyl]piperazine
CID 782660
N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
CID 118857776

Frequently Asked Questions

What is the IUPAC name of (1R)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-pyrimidin-4-ylethanamine?
The IUPAC name of (1R)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-pyrimidin-4-ylethanamine (CID 124753171) is (1R)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-pyrimidin-4-ylethanamine.
What is the SMILES notation for (1R)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-pyrimidin-4-ylethanamine?
The canonical SMILES for (1R)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-pyrimidin-4-ylethanamine is C[C@H](c1ccncn1)N(C)CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of (1R)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-pyrimidin-4-ylethanamine?
The InChIKey is LKNXQQYWYMSQLN-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N5/c1-17(19-8-9-20-16-21-19)22(2)10-11-23-12-14-24(15-13-23)18-6-4-3-5-7-18/h3-9,16-17H,10-15H2,1-2H3/t17-/m1/s1.
What are the key properties of (1R)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-pyrimidin-4-ylethanamine?
(1R)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-pyrimidin-4-ylethanamine has a molecular weight of 325.46 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-pyrimidin-4-ylethanamine is sourced from PubChem (CID 124753171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).