[4-[2-(cyclohexylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone

C21H27N5O3 — CID 109322670

IUPAC[4-[2-(cyclohexylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)nc(NC2CCCCC2)n1
InChIInChI=1S/C21H27N5O3/c1-15-14-17(24-21(22-15)23-16-6-3-2-4-7-16)19(27)25-9-11-26(12-10-25)20(28)18-8-5-13-29-18/h5,8,13-14,16H,2-4,6-7,9-12H2,1H3,(H,22,23,24)
InChIKeyZWVLJIIFKJKQMW-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.72
Rot. Bonds4

About [4-[2-(cyclohexylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[2-(cyclohexylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 109322670) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is [4-[2-(cyclohexylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(cyclohexylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID109322670
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name[4-[2-(cyclohexylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)nc(NC2CCCCC2)n1
InChIInChI=1S/C21H27N5O3/c1-15-14-17(24-21(22-15)23-16-6-3-2-4-7-16)19(27)25-9-11-26(12-10-25)20(28)18-8-5-13-29-18/h5,8,13-14,16H,2-4,6-7,9-12H2,1H3,(H,22,23,24)
InChIKeyZWVLJIIFKJKQMW-UHFFFAOYSA-N
XLogP2.72
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-(cyclopropylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109319711
[4-[2-(cycloheptylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112923752
[4-[2-(tert-butylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109332113
[4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110854718
(3Z)-1-cyclopentyl-3-[[(4,6-dimethylpyrimidin-2-yl)amino]-[4-(furan-2-carbonyl)piperazin-1-yl]methylidene]thiourea
CID 17090943
[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109319693
furan-2-yl-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone
CID 18150145
2-(cyclopentylamino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109321927
[2-(cyclopentylamino)-4-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109166110
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109319726
N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108530988

Frequently Asked Questions

What is the IUPAC name of [4-[2-(cyclohexylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[2-(cyclohexylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 109322670) is [4-[2-(cyclohexylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[2-(cyclohexylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[2-(cyclohexylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is Cc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)nc(NC2CCCCC2)n1.
What is the InChIKey of [4-[2-(cyclohexylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is ZWVLJIIFKJKQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-15-14-17(24-21(22-15)23-16-6-3-2-4-7-16)19(27)25-9-11-26(12-10-25)20(28)18-8-5-13-29-18/h5,8,13-14,16H,2-4,6-7,9-12H2,1H3,(H,22,23,24).
What are the key properties of [4-[2-(cyclohexylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[2-(cyclohexylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 397.48 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(cyclohexylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 109322670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).