azepan-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone

C16H20N4O2 — CID 109303309

IUPACazepan-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
SMILESO=C(c1ccnc(NCc2ccco2)n1)N1CCCCCC1
InChIInChI=1S/C16H20N4O2/c21-15(20-9-3-1-2-4-10-20)14-7-8-17-16(19-14)18-12-13-6-5-11-22-13/h5-8,11H,1-4,9-10,12H2,(H,17,18,19)
InChIKeyWBUNZORCPTYRTJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.70
Rot. Bonds4

About azepan-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone

azepan-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone (PubChem CID 109303309) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is azepan-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
PubChem CID109303309
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Nameazepan-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
SMILESO=C(c1ccnc(NCc2ccco2)n1)N1CCCCCC1
InChIInChI=1S/C16H20N4O2/c21-15(20-9-3-1-2-4-10-20)14-7-8-17-16(19-14)18-12-13-6-5-11-22-13/h5-8,11H,1-4,9-10,12H2,(H,17,18,19)
InChIKeyWBUNZORCPTYRTJ-UHFFFAOYSA-N
XLogP2.70
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109303288
[2-(furan-2-ylmethylamino)pyrimidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109303310
azepan-1-yl-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109279529
piperidin-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone
CID 109294729
azepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone
CID 109294810
piperidin-1-yl-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109295917
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298426
N-cyclopropyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109295735
[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298408
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109296759
[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298407
2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303311

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone?
The IUPAC name of azepan-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone (CID 109303309) is azepan-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for azepan-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for azepan-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone is O=C(c1ccnc(NCc2ccco2)n1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone?
The InChIKey is WBUNZORCPTYRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-15(20-9-3-1-2-4-10-20)14-7-8-17-16(19-14)18-12-13-6-5-11-22-13/h5-8,11H,1-4,9-10,12H2,(H,17,18,19).
What are the key properties of azepan-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone?
azepan-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone has a molecular weight of 300.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109303309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).