(2-ethylpyrimidin-5-yl)-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone

C15H22N4O — CID 56709201

IUPAC(2-ethylpyrimidin-5-yl)-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
SMILESCCc1ncc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cn1
InChIInChI=1S/C15H22N4O/c1-3-14-16-8-11(9-17-14)15(20)19-7-6-12-4-5-13(10-19)18(12)2/h8-9,12-13H,3-7,10H2,1-2H3/t12-,13+/m0/s1
InChIKeyFDHACSDZQWWDHD-QWHCGFSZSA-N
MW274.37 g/mol
LogP1.35
Rot. Bonds2

About (2-ethylpyrimidin-5-yl)-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone

(2-ethylpyrimidin-5-yl)-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone (PubChem CID 56709201) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is (2-ethylpyrimidin-5-yl)-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrimidin-5-yl)-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
PubChem CID56709201
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name(2-ethylpyrimidin-5-yl)-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
SMILESCCc1ncc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cn1
InChIInChI=1S/C15H22N4O/c1-3-14-16-8-11(9-17-14)15(20)19-7-6-12-4-5-13(10-19)18(12)2/h8-9,12-13H,3-7,10H2,1-2H3/t12-,13+/m0/s1
InChIKeyFDHACSDZQWWDHD-QWHCGFSZSA-N
XLogP1.35
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrimidin-5-yl)-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone?
The IUPAC name of (2-ethylpyrimidin-5-yl)-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone (CID 56709201) is (2-ethylpyrimidin-5-yl)-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone.
What is the SMILES notation for (2-ethylpyrimidin-5-yl)-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone?
The canonical SMILES for (2-ethylpyrimidin-5-yl)-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone is CCc1ncc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cn1.
What is the InChIKey of (2-ethylpyrimidin-5-yl)-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone?
The InChIKey is FDHACSDZQWWDHD-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-14-16-8-11(9-17-14)15(20)19-7-6-12-4-5-13(10-19)18(12)2/h8-9,12-13H,3-7,10H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of (2-ethylpyrimidin-5-yl)-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone?
(2-ethylpyrimidin-5-yl)-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone has a molecular weight of 274.37 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrimidin-5-yl)-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone is sourced from PubChem (CID 56709201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).