N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-5-carboxamide

C20H27N5O2 — CID 109262038

IUPACN-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1N1CCN(c2ncc(C(=O)NC(C)(C)C)cn2)CC1
InChIInChI=1S/C20H27N5O2/c1-20(2,3)23-18(26)15-13-21-19(22-14-15)25-11-9-24(10-12-25)16-7-5-6-8-17(16)27-4/h5-8,13-14H,9-12H2,1-4H3,(H,23,26)
InChIKeyUSWRAQYINBDLNW-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.34
Rot. Bonds4

About N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-5-carboxamide

N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-5-carboxamide (PubChem CID 109262038) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-5-carboxamide
PubChem CID109262038
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1N1CCN(c2ncc(C(=O)NC(C)(C)C)cn2)CC1
InChIInChI=1S/C20H27N5O2/c1-20(2,3)23-18(26)15-13-21-19(22-14-15)25-11-9-24(10-12-25)16-7-5-6-8-17(16)27-4/h5-8,13-14H,9-12H2,1-4H3,(H,23,26)
InChIKeyUSWRAQYINBDLNW-UHFFFAOYSA-N
XLogP2.34
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249260
5-iodo-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 115620486
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17445171
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-tert-butylcarbamate
CID 54039106
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898253
2-(4-ethylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109254161
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 109151195
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 41337436
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 47016293
N-[(E)-3,3-dimethylbut-1-enyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 108911493
N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]benzamide
CID 113043687
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 4122027

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-5-carboxamide (CID 109262038) is N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-5-carboxamide is COc1ccccc1N1CCN(c2ncc(C(=O)NC(C)(C)C)cn2)CC1.
What is the InChIKey of N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is USWRAQYINBDLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-20(2,3)23-18(26)15-13-21-19(22-14-15)25-11-9-24(10-12-25)16-7-5-6-8-17(16)27-4/h5-8,13-14H,9-12H2,1-4H3,(H,23,26).
What are the key properties of N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-5-carboxamide?
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109262038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).