(1S,4S)-2-cyclobutyl-5-(4-methoxypyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane

C14H20N4O — CID 146105242

IUPAC(1S,4S)-2-cyclobutyl-5-(4-methoxypyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCOc1ccnc(N2C[C@@H]3C[C@H]2CN3C2CCC2)n1
InChIInChI=1S/C14H20N4O/c1-19-13-5-6-15-14(16-13)18-9-11-7-12(18)8-17(11)10-3-2-4-10/h5-6,10-12H,2-4,7-9H2,1H3/t11-,12-/m0/s1
InChIKeyIQBVNADRHYNESZ-RYUDHWBXSA-N
MW260.34 g/mol
LogP1.30
Rot. Bonds3

About (1S,4S)-2-cyclobutyl-5-(4-methoxypyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane

(1S,4S)-2-cyclobutyl-5-(4-methoxypyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 146105242) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (1S,4S)-2-cyclobutyl-5-(4-methoxypyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4S)-2-cyclobutyl-5-(4-methoxypyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID146105242
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(1S,4S)-2-cyclobutyl-5-(4-methoxypyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCOc1ccnc(N2C[C@@H]3C[C@H]2CN3C2CCC2)n1
InChIInChI=1S/C14H20N4O/c1-19-13-5-6-15-14(16-13)18-9-11-7-12(18)8-17(11)10-3-2-4-10/h5-6,10-12H,2-4,7-9H2,1H3/t11-,12-/m0/s1
InChIKeyIQBVNADRHYNESZ-RYUDHWBXSA-N
XLogP1.30
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1S,4S)-2-cyclobutyl-5-(4-methoxypyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane with MolForge

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Related Compounds

7-(4-methoxypyrimidin-2-yl)-1,7-diazabicyclo[4.3.1]decane
CID 167867544
4-methoxy-2-[2-(3-methylbutyl)pyrrolidin-1-yl]pyrimidine
CID 133376942
1-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]pyrrolidin-2-one
CID 95557149
[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 62593689
N-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62591275
(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 93274420
2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol
CID 97075977
2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]methyl]ethanamine
CID 62587593
[1-(4-methoxypyrimidin-2-yl)-6-methylpiperidin-3-yl]methanamine
CID 62586902
2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine
CID 171701610
2-[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]ethanamine
CID 63767242
3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 55243745

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-2-cyclobutyl-5-(4-methoxypyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of (1S,4S)-2-cyclobutyl-5-(4-methoxypyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane (CID 146105242) is (1S,4S)-2-cyclobutyl-5-(4-methoxypyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4S)-2-cyclobutyl-5-(4-methoxypyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4S)-2-cyclobutyl-5-(4-methoxypyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane is COc1ccnc(N2C[C@@H]3C[C@H]2CN3C2CCC2)n1.
What is the InChIKey of (1S,4S)-2-cyclobutyl-5-(4-methoxypyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is IQBVNADRHYNESZ-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H20N4O/c1-19-13-5-6-15-14(16-13)18-9-11-7-12(18)8-17(11)10-3-2-4-10/h5-6,10-12H,2-4,7-9H2,1H3/t11-,12-/m0/s1.
What are the key properties of (1S,4S)-2-cyclobutyl-5-(4-methoxypyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
(1S,4S)-2-cyclobutyl-5-(4-methoxypyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 260.34 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-2-cyclobutyl-5-(4-methoxypyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 146105242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).