5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one

C19H17ClN4O4 — CID 55552011

IUPAC5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H17ClN4O4/c1-11-14(15-16(25)21-10-22-17(15)28-11)19(27)24-8-6-23(7-9-24)18(26)12-2-4-13(20)5-3-12/h2-5,10H,6-9H2,1H3,(H,21,22,25)
InChIKeyYXAYHDXEYZPNFA-UHFFFAOYSA-N
MW400.82 g/mol
LogP2.08
Rot. Bonds2

About 5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one

5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one (PubChem CID 55552011) has the molecular formula C19H17ClN4O4 and a molecular weight of 400.82 g/mol. Its IUPAC name is 5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
PubChem CID55552011
Molecular FormulaC19H17ClN4O4
Molecular Weight400.82 g/mol
Exact Mass400.09
IUPAC Name5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H17ClN4O4/c1-11-14(15-16(25)21-10-22-17(15)28-11)19(27)24-8-6-23(7-9-24)18(26)12-2-4-13(20)5-3-12/h2-5,10H,6-9H2,1H3,(H,21,22,25)
InChIKeyYXAYHDXEYZPNFA-UHFFFAOYSA-N
XLogP2.08
TPSA99.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.82
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-dihydroxypyrrolidine-1-carbonyl)-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
CID 106671491
5-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
CID 79404295
5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
CID 166283375
5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
CID 38510706
6-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one
CID 55723104
6-methyl-5-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one
CID 95978664
6-methyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 94805754
(4-chlorophenyl)-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]methanone
CID 46550663
N-[1-(furan-2-yl)ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 51073359
(4-chlorophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 51076533
N-(3-benzamidophenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 55869447
N-(4-ethylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 37345022

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one (CID 55552011) is 5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one is Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one?
The InChIKey is YXAYHDXEYZPNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4/c1-11-14(15-16(25)21-10-22-17(15)28-11)19(27)24-8-6-23(7-9-24)18(26)12-2-4-13(20)5-3-12/h2-5,10H,6-9H2,1H3,(H,21,22,25).
What are the key properties of 5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one?
5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one has a molecular weight of 400.82 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 55552011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).