furan-2-yl-[4-[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]piperazin-1-yl]methanone

C18H25N5O2 — CID 112908528

IUPACfuran-2-yl-[4-[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESCc1cc(NCC(C)C)nc(N2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C18H25N5O2/c1-13(2)12-19-16-11-14(3)20-18(21-16)23-8-6-22(7-9-23)17(24)15-5-4-10-25-15/h4-5,10-11,13H,6-9,12H2,1-3H3,(H,19,20,21)
InChIKeyFEKJRRKQCBLPCF-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.41
Rot. Bonds5

About furan-2-yl-[4-[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]piperazin-1-yl]methanone

furan-2-yl-[4-[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]piperazin-1-yl]methanone (PubChem CID 112908528) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is furan-2-yl-[4-[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]piperazin-1-yl]methanone
PubChem CID112908528
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Namefuran-2-yl-[4-[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESCc1cc(NCC(C)C)nc(N2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C18H25N5O2/c1-13(2)12-19-16-11-14(3)20-18(21-16)23-8-6-22(7-9-23)17(24)15-5-4-10-25-15/h4-5,10-11,13H,6-9,12H2,1-3H3,(H,19,20,21)
InChIKeyFEKJRRKQCBLPCF-UHFFFAOYSA-N
XLogP2.41
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
[4-[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112923817
furan-2-yl-[4-[5-(3-methylbutylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]methanone
CID 112957796
[4-(furan-2-carbonyl)piperazin-1-yl]-[6-(2-methylpropylamino)-3-pyridinyl]methanone
CID 109151822
furan-2-yl-[4-[3-(2-methylpropylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]methanone
CID 112940523
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109296759
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 112908525
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 122351605
[4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110854718
2-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]chromen-4-one
CID 122346128
1-[4-[4-methyl-6-(2-phenylethylamino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112914983
furan-2-yl-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone
CID 112898734

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]piperazin-1-yl]methanone (CID 112908528) is furan-2-yl-[4-[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]piperazin-1-yl]methanone is Cc1cc(NCC(C)C)nc(N2CCN(C(=O)c3ccco3)CC2)n1.
What is the InChIKey of furan-2-yl-[4-[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]piperazin-1-yl]methanone?
The InChIKey is FEKJRRKQCBLPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13(2)12-19-16-11-14(3)20-18(21-16)23-8-6-22(7-9-23)17(24)15-5-4-10-25-15/h4-5,10-11,13H,6-9,12H2,1-3H3,(H,19,20,21).
What are the key properties of furan-2-yl-[4-[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]piperazin-1-yl]methanone?
furan-2-yl-[4-[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]piperazin-1-yl]methanone has a molecular weight of 343.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 112908528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).