[4-(6-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(furan-3-yl)methanone

C17H20N4O2 — CID 72854787

IUPAC[4-(6-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCCN(c2cc(C3CC3)ncn2)CC1
InChIInChI=1S/C17H20N4O2/c22-17(14-4-9-23-11-14)21-6-1-5-20(7-8-21)16-10-15(13-2-3-13)18-12-19-16/h4,9-13H,1-3,5-8H2
InChIKeyCDBMWSPHVCGVSI-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.30
Rot. Bonds3

About [4-(6-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(furan-3-yl)methanone

[4-(6-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(furan-3-yl)methanone (PubChem CID 72854787) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [4-(6-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-(6-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(furan-3-yl)methanone
PubChem CID72854787
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[4-(6-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCCN(c2cc(C3CC3)ncn2)CC1
InChIInChI=1S/C17H20N4O2/c22-17(14-4-9-23-11-14)21-6-1-5-20(7-8-21)16-10-15(13-2-3-13)18-12-19-16/h4,9-13H,1-3,5-8H2
InChIKeyCDBMWSPHVCGVSI-UHFFFAOYSA-N
XLogP2.30
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(6-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(furan-3-yl)methanone with MolForge

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Related Compounds

furan-3-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343060
furan-3-yl-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122338270
[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172900074
(2-methoxy-4-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 70740617
furan-3-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334677
[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165434882
tert-butyl 4-[6-(oxolan-3-yl)pyrimidin-4-yl]-1,4-diazepane-1-carboxylate
CID 126849871
[4-(5-amino-2-pyridinyl)piperazin-1-yl]-(furan-3-yl)methanone
CID 43462002
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342906
(3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 70739574
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
3-cyclopropyl-6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 122279677

Frequently Asked Questions

What is the IUPAC name of [4-(6-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-(6-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(furan-3-yl)methanone (CID 72854787) is [4-(6-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-(6-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-(6-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCCN(c2cc(C3CC3)ncn2)CC1.
What is the InChIKey of [4-(6-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(furan-3-yl)methanone?
The InChIKey is CDBMWSPHVCGVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-17(14-4-9-23-11-14)21-6-1-5-20(7-8-21)16-10-15(13-2-3-13)18-12-19-16/h4,9-13H,1-3,5-8H2.
What are the key properties of [4-(6-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(furan-3-yl)methanone?
[4-(6-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(furan-3-yl)methanone has a molecular weight of 312.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 72854787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).