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

C16H21N5O2 — CID 122351605

IUPAC[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCNc1cc(N2CCN(C(=O)c3ccco3)CC2)nc(C)n1
InChIInChI=1S/C16H21N5O2/c1-3-17-14-11-15(19-12(2)18-14)20-6-8-21(9-7-20)16(22)13-5-4-10-23-13/h4-5,10-11H,3,6-9H2,1-2H3,(H,17,18,19)
InChIKeyPBRUBDMAKDICRC-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.77
Rot. Bonds4

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

[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 122351605) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID122351605
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCNc1cc(N2CCN(C(=O)c3ccco3)CC2)nc(C)n1
InChIInChI=1S/C16H21N5O2/c1-3-17-14-11-15(19-12(2)18-14)20-6-8-21(9-7-20)16(22)13-5-4-10-23-13/h4-5,10-11H,3,6-9H2,1-2H3,(H,17,18,19)
InChIKeyPBRUBDMAKDICRC-UHFFFAOYSA-N
XLogP1.77
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

furan-2-yl-[4-[2-methyl-6-(2-phenylethylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112873702
furan-2-yl-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 46267932
furan-2-yl-[4-[2-methyl-6-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112875479
[4-[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112875500
N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide
CID 109361802
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112855130
1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2,2-diphenylethanone
CID 122351609
cyclopropyl-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 122351619
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 56699266
furan-2-yl-[4-(3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 53202757
[4-[2-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112912995

Frequently Asked Questions

What is the IUPAC name of [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (CID 122351605) is [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is CCNc1cc(N2CCN(C(=O)c3ccco3)CC2)nc(C)n1.
What is the InChIKey of [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is PBRUBDMAKDICRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-3-17-14-11-15(19-12(2)18-14)20-6-8-21(9-7-20)16(22)13-5-4-10-23-13/h4-5,10-11H,3,6-9H2,1-2H3,(H,17,18,19).
What are the key properties of [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 315.38 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 122351605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).