4-amino-N-benzyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-5-carboxamide

C21H22N6O3 — CID 53143954

IUPAC4-amino-N-benzyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-5-carboxamide
SMILESNc1nc(N2CCN(C(=O)c3ccco3)CC2)ncc1C(=O)NCc1ccccc1
InChIInChI=1S/C21H22N6O3/c22-18-16(19(28)23-13-15-5-2-1-3-6-15)14-24-21(25-18)27-10-8-26(9-11-27)20(29)17-7-4-12-30-17/h1-7,12,14H,8-11,13H2,(H,23,28)(H2,22,24,25)
InChIKeyFLPCRQSVSQBMBO-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.54
Rot. Bonds5

About 4-amino-N-benzyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-5-carboxamide

4-amino-N-benzyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-5-carboxamide (PubChem CID 53143954) has the molecular formula C21H22N6O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is 4-amino-N-benzyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-benzyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-5-carboxamide
PubChem CID53143954
Molecular FormulaC21H22N6O3
Molecular Weight406.45 g/mol
Exact Mass406.18
IUPAC Name4-amino-N-benzyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-5-carboxamide
SMILESNc1nc(N2CCN(C(=O)c3ccco3)CC2)ncc1C(=O)NCc1ccccc1
InChIInChI=1S/C21H22N6O3/c22-18-16(19(28)23-13-15-5-2-1-3-6-15)14-24-21(25-18)27-10-8-26(9-11-27)20(29)17-7-4-12-30-17/h1-7,12,14H,8-11,13H2,(H,23,28)(H2,22,24,25)
InChIKeyFLPCRQSVSQBMBO-UHFFFAOYSA-N
XLogP1.54
TPSA117.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53143942
ethyl 1-[4-amino-5-(benzylcarbamoyl)pyrimidin-2-yl]piperidine-4-carboxylate
CID 53143945
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258548
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158129
4-amino-N-[(2-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 53143993
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109262168
furan-2-yl-[4-(2-piperidin-1-yl-4-pyridin-2-ylpyrimidine-5-carbonyl)piperazin-1-yl]methanone
CID 91952722
N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 39830660
4-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(3-ethoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 53143983
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157948
[4-(5-chloropyrimidin-2-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 86778300
4-amino-2-(4-ethylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide
CID 53143924

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-benzyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-5-carboxamide (CID 53143954) is 4-amino-N-benzyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-benzyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-benzyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-5-carboxamide is Nc1nc(N2CCN(C(=O)c3ccco3)CC2)ncc1C(=O)NCc1ccccc1.
What is the InChIKey of 4-amino-N-benzyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is FLPCRQSVSQBMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3/c22-18-16(19(28)23-13-15-5-2-1-3-6-15)14-24-21(25-18)27-10-8-26(9-11-27)20(29)17-7-4-12-30-17/h1-7,12,14H,8-11,13H2,(H,23,28)(H2,22,24,25).
What are the key properties of 4-amino-N-benzyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-5-carboxamide?
4-amino-N-benzyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 53143954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).