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

C18H21N5O3 — CID 109319711

IUPAC[4-[2-(cyclopropylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)nc(NC2CC2)n1
InChIInChI=1S/C18H21N5O3/c1-12-11-14(21-18(19-12)20-13-4-5-13)16(24)22-6-8-23(9-7-22)17(25)15-3-2-10-26-15/h2-3,10-11,13H,4-9H2,1H3,(H,19,20,21)
InChIKeyDLLURQCJVHBQTE-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.55
Rot. Bonds4

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

[4-[2-(cyclopropylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 109319711) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is [4-[2-(cyclopropylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(cyclopropylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID109319711
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name[4-[2-(cyclopropylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)nc(NC2CC2)n1
InChIInChI=1S/C18H21N5O3/c1-12-11-14(21-18(19-12)20-13-4-5-13)16(24)22-6-8-23(9-7-22)17(25)15-3-2-10-26-15/h2-3,10-11,13H,4-9H2,1H3,(H,19,20,21)
InChIKeyDLLURQCJVHBQTE-UHFFFAOYSA-N
XLogP1.55
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-(cyclohexylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109322670
[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
[4-[2-(cycloheptylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112923752
[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109319693
[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109319726
[4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109271816
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
furan-2-yl-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone
CID 18150145
(3Z)-1-cyclopentyl-3-[[(4,6-dimethylpyrimidin-2-yl)amino]-[4-(furan-2-carbonyl)piperazin-1-yl]methylidene]thiourea
CID 17090943
[4-(1-ethyl-5-methylpyrazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110681725
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylanilino)pyrimidin-4-yl]methanone
CID 109310523

Frequently Asked Questions

What is the IUPAC name of [4-[2-(cyclopropylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[2-(cyclopropylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 109319711) is [4-[2-(cyclopropylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[2-(cyclopropylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[2-(cyclopropylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is Cc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)nc(NC2CC2)n1.
What is the InChIKey of [4-[2-(cyclopropylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is DLLURQCJVHBQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-12-11-14(21-18(19-12)20-13-4-5-13)16(24)22-6-8-23(9-7-22)17(25)15-3-2-10-26-15/h2-3,10-11,13H,4-9H2,1H3,(H,19,20,21).
What are the key properties of [4-[2-(cyclopropylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[2-(cyclopropylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 355.40 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(cyclopropylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 109319711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).