(4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone

C21H23N5O2 — CID 109346152

IUPAC(4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
SMILESO=C(c1cc(NCc2ccco2)ncn1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H23N5O2/c27-21(19-13-20(24-16-23-19)22-14-18-7-4-12-28-18)26-10-8-25(9-11-26)15-17-5-2-1-3-6-17/h1-7,12-13,16H,8-11,14-15H2,(H,22,23,24)
InChIKeyBFAOKYQOIDXPMX-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.64
Rot. Bonds6

About (4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone

(4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone (PubChem CID 109346152) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
PubChem CID109346152
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name(4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
SMILESO=C(c1cc(NCc2ccco2)ncn1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H23N5O2/c27-21(19-13-20(24-16-23-19)22-14-18-7-4-12-28-18)26-10-8-25(9-11-26)15-17-5-2-1-3-6-17/h1-7,12-13,16H,8-11,14-15H2,(H,22,23,24)
InChIKeyBFAOKYQOIDXPMX-UHFFFAOYSA-N
XLogP2.64
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone with MolForge

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Related Compounds

(4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone
CID 109367950
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109346154
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109346165
6-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109346189
[2-(furan-2-ylmethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109169331
(4-benzylpiperazin-1-yl)-(6-ethoxypyrimidin-4-yl)methanone
CID 121167503
N-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346134
N-cyclopentyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109341395
N-(2,6-difluorophenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346291
1-(4-benzylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974583
azepan-1-yl-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109279529
1-[4-[6-(pyridin-3-ylmethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346006

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone (CID 109346152) is (4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone is O=C(c1cc(NCc2ccco2)ncn1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone?
The InChIKey is BFAOKYQOIDXPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-21(19-13-20(24-16-23-19)22-14-18-7-4-12-28-18)26-10-8-25(9-11-26)15-17-5-2-1-3-6-17/h1-7,12-13,16H,8-11,14-15H2,(H,22,23,24).
What are the key properties of (4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone?
(4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone has a molecular weight of 377.45 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109346152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).