N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

C22H32N6O2 — CID 51936361

IUPACN-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCCN(CC)[C@@H](CNC(=O)N1CCN(c2ncccn2)CC1)c1cccc(OC)c1
InChIInChI=1S/C22H32N6O2/c1-4-26(5-2)20(18-8-6-9-19(16-18)30-3)17-25-22(29)28-14-12-27(13-15-28)21-23-10-7-11-24-21/h6-11,16,20H,4-5,12-15,17H2,1-3H3,(H,25,29)/t20-/m0/s1
InChIKeyICJVJTRXSQSZMO-FQEVSTJZSA-N
MW412.54 g/mol
LogP2.40
Rot. Bonds8

About N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 51936361) has the molecular formula C22H32N6O2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID51936361
Molecular FormulaC22H32N6O2
Molecular Weight412.54 g/mol
Exact Mass412.26
IUPAC NameN-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCCN(CC)[C@@H](CNC(=O)N1CCN(c2ncccn2)CC1)c1cccc(OC)c1
InChIInChI=1S/C22H32N6O2/c1-4-26(5-2)20(18-8-6-9-19(16-18)30-3)17-25-22(29)28-14-12-27(13-15-28)21-23-10-7-11-24-21/h6-11,16,20H,4-5,12-15,17H2,1-3H3,(H,25,29)/t20-/m0/s1
InChIKeyICJVJTRXSQSZMO-FQEVSTJZSA-N
XLogP2.40
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(diethylamino)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 166217159
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CID 134032738
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51283227
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 55457720
N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27516864
1-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119837675
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56516620
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
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N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]morpholine-4-carboxamide
CID 112503691
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111166135
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrimidin-5-ylacetamide
CID 119039953
1-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 51936361) is N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is CCN(CC)[C@@H](CNC(=O)N1CCN(c2ncccn2)CC1)c1cccc(OC)c1.
What is the InChIKey of N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is ICJVJTRXSQSZMO-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H32N6O2/c1-4-26(5-2)20(18-8-6-9-19(16-18)30-3)17-25-22(29)28-14-12-27(13-15-28)21-23-10-7-11-24-21/h6-11,16,20H,4-5,12-15,17H2,1-3H3,(H,25,29)/t20-/m0/s1.
What are the key properties of N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 412.54 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 51936361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).