[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone

C17H20N4O2 — CID 171334935

IUPAC[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1cc(N2CCN(C(=O)c3ccco3)CC2)nc(C2CC2)n1
InChIInChI=1S/C17H20N4O2/c1-12-11-15(19-16(18-12)13-4-5-13)20-6-8-21(9-7-20)17(22)14-3-2-10-23-14/h2-3,10-11,13H,4-9H2,1H3
InChIKeySCJSNVXRIYFTQV-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.22
Rot. Bonds3

About [4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 171334935) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID171334935
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1cc(N2CCN(C(=O)c3ccco3)CC2)nc(C2CC2)n1
InChIInChI=1S/C17H20N4O2/c1-12-11-15(19-16(18-12)13-4-5-13)20-6-8-21(9-7-20)17(22)14-3-2-10-23-14/h2-3,10-11,13H,4-9H2,1H3
InChIKeySCJSNVXRIYFTQV-UHFFFAOYSA-N
XLogP2.22
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-(cycloheptylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112923752
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
furan-2-yl-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 53047675
[4-[2-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112912995
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
furan-2-yl-[4-[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112919591
[1-(furan-2-carbonyl)piperidin-3-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 43043398
[4-(2,6-diaminopyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 14156152
[4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 42809343
[4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110854718
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 122351605
[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 133367981

Frequently Asked Questions

What is the IUPAC name of [4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone (CID 171334935) is [4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone is Cc1cc(N2CCN(C(=O)c3ccco3)CC2)nc(C2CC2)n1.
What is the InChIKey of [4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is SCJSNVXRIYFTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-11-15(19-16(18-12)13-4-5-13)20-6-8-21(9-7-20)17(22)14-3-2-10-23-14/h2-3,10-11,13H,4-9H2,1H3.
What are the key properties of [4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 312.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 171334935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).