[4-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]-(furan-3-yl)methanone

C18H25N5O2 — CID 75374053

IUPAC[4-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]-(furan-3-yl)methanone
SMILESCC(C)c1cc(N2CCN(C(=O)c3ccoc3)CC2)nc(N(C)C)n1
InChIInChI=1S/C18H25N5O2/c1-13(2)15-11-16(20-18(19-15)21(3)4)22-6-8-23(9-7-22)17(24)14-5-10-25-12-14/h5,10-13H,6-9H2,1-4H3
InChIKeyLFXYVEJREWMRGZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.22
Rot. Bonds4

About [4-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]-(furan-3-yl)methanone

[4-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]-(furan-3-yl)methanone (PubChem CID 75374053) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is [4-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]-(furan-3-yl)methanone
PubChem CID75374053
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name[4-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]-(furan-3-yl)methanone
SMILESCC(C)c1cc(N2CCN(C(=O)c3ccoc3)CC2)nc(N(C)C)n1
InChIInChI=1S/C18H25N5O2/c1-13(2)15-11-16(20-18(19-15)21(3)4)22-6-8-23(9-7-22)17(24)14-5-10-25-12-14/h5,10-13H,6-9H2,1-4H3
InChIKeyLFXYVEJREWMRGZ-UHFFFAOYSA-N
XLogP2.22
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide
CID 154838840
[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 71830649
[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 133409488
furan-3-yl-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 91631637
furan-3-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334677
furan-3-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343060
2-[1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]propan-1-ol
CID 154842261
[4-(5-amino-2-pyridinyl)piperazin-1-yl]-(furan-3-yl)methanone
CID 43462002
[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone
CID 133273983
furan-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 43048919
[4-(6-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(furan-3-yl)methanone
CID 72854787
furan-3-yl-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 134007167

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]-(furan-3-yl)methanone (CID 75374053) is [4-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]-(furan-3-yl)methanone is CC(C)c1cc(N2CCN(C(=O)c3ccoc3)CC2)nc(N(C)C)n1.
What is the InChIKey of [4-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]-(furan-3-yl)methanone?
The InChIKey is LFXYVEJREWMRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13(2)15-11-16(20-18(19-15)21(3)4)22-6-8-23(9-7-22)17(24)14-5-10-25-12-14/h5,10-13H,6-9H2,1-4H3.
What are the key properties of [4-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]-(furan-3-yl)methanone?
[4-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]-(furan-3-yl)methanone has a molecular weight of 343.43 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 75374053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).