2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide

C20H27N5O2 — CID 109254254

IUPAC2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
SMILESCCN1CCN(c2ncc(C(=O)Nc3ccc(OC(C)C)cc3)cn2)CC1
InChIInChI=1S/C20H27N5O2/c1-4-24-9-11-25(12-10-24)20-21-13-16(14-22-20)19(26)23-17-5-7-18(8-6-17)27-15(2)3/h5-8,13-15H,4,9-12H2,1-3H3,(H,23,26)
InChIKeyHYFAOPCEEFLAHL-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.66
Rot. Bonds6

About 2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide

2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109254254) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
PubChem CID109254254
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
SMILESCCN1CCN(c2ncc(C(=O)Nc3ccc(OC(C)C)cc3)cn2)CC1
InChIInChI=1S/C20H27N5O2/c1-4-24-9-11-25(12-10-24)20-21-13-16(14-22-20)19(26)23-17-5-7-18(8-6-17)27-15(2)3/h5-8,13-15H,4,9-12H2,1-3H3,(H,23,26)
InChIKeyHYFAOPCEEFLAHL-UHFFFAOYSA-N
XLogP2.66
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254269
2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109168784
5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109230669
3-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109017718
N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250209
N-(4-ethylphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254526
N-(4-acetamidophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253945
N-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154746
2-(tert-butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109263016
N-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154737
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17495429
N-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250918

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide (CID 109254254) is 2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide is CCN1CCN(c2ncc(C(=O)Nc3ccc(OC(C)C)cc3)cn2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is HYFAOPCEEFLAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-4-24-9-11-25(12-10-24)20-21-13-16(14-22-20)19(26)23-17-5-7-18(8-6-17)27-15(2)3/h5-8,13-15H,4,9-12H2,1-3H3,(H,23,26).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide?
2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109254254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).